(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide

C26H31N7O3 — CID 139403010

IUPAC(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccccc1
InChIInChI=1S/C26H31N7O3/c1-5-20(18-9-7-6-8-10-18)29-26(36)33-23(25(35)32(4)22-11-12-31(3)30-22)19(24(33)34)14-17-13-16(2)28-21(27)15-17/h6-13,15,19-20,23H,5,14H2,1-4H3,(H2,27,28)(H,29,36)/t19-,20-,23+/m1/s1
InChIKeyBKTAMMIUYFPWIU-VIZSFHNOSA-N
MW489.58 g/mol
LogP2.60
Rot. Bonds7

About (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (PubChem CID 139403010) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
PubChem CID139403010
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccccc1
InChIInChI=1S/C26H31N7O3/c1-5-20(18-9-7-6-8-10-18)29-26(36)33-23(25(35)32(4)22-11-12-31(3)30-22)19(24(33)34)14-17-13-16(2)28-21(27)15-17/h6-13,15,19-20,23H,5,14H2,1-4H3,(H2,27,28)(H,29,36)/t19-,20-,23+/m1/s1
InChIKeyBKTAMMIUYFPWIU-VIZSFHNOSA-N
XLogP2.60
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-1-N-[(1R)-1-(3-methylphenyl)propyl]-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402916
3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-phenylpropyl)azetidine-1,2-dicarboxamide
CID 142386660
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-(1,3,4-thiadiazol-2-yl)azetidine-1,2-dicarboxamide
CID 139402996
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[1-(3-chlorophenyl)propyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402881
(2S)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-1-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
CID 135169119
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(2,3-dimethylphenyl)propyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402990
(2S,3R)-2-N-methyl-2-N-(1-methylimidazol-2-yl)-3-[[2-methyl-6-(methylamino)-4-pyridinyl]methyl]-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
CID 139403176
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-1-N-[(1R)-1-phenylpropyl]-2-N-thiophen-2-ylazetidine-1,2-dicarboxamide
CID 139402855
(3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-4-oxo-2-N-phenyl-1-N-(1-pyridin-4-ylpropyl)azetidine-1,2-dicarboxamide
CID 142386730
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-N-methyl-2-N-(2-methyl-1H-pyrazol-2-ium-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 161209718
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-1-N-[(1R)-1-(2,3-difluorophenyl)propyl]-2-N-methyl-2-N-(2-methylpyrazol-3-yl)-4-oxoazetidine-1,2-dicarboxamide
CID 139402817
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyrimidin-2-ylazetidine-1,2-dicarboxamide
CID 135169159

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (CID 139403010) is (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide is CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2cc(C)nc(N)c2)[C@H]1C(=O)N(C)c1ccn(C)n1)c1ccccc1.
What is the InChIKey of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The InChIKey is BKTAMMIUYFPWIU-VIZSFHNOSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-5-20(18-9-7-6-8-10-18)29-26(36)33-23(25(35)32(4)22-11-12-31(3)30-22)19(24(33)34)14-17-13-16(2)28-21(27)15-17/h6-13,15,19-20,23H,5,14H2,1-4H3,(H2,27,28)(H,29,36)/t19-,20-,23+/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
(2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylpyrazol-3-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 139403010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).