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

C25H29N7O3 — CID 139402859

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccccc1
InChIInChI=1S/C25H29N7O3/c1-4-19(17-8-6-5-7-9-17)29-25(35)32-21(23(34)31(3)24-28-12-13-30(24)2)18(22(32)33)14-16-10-11-27-20(26)15-16/h5-13,15,18-19,21H,4,14H2,1-3H3,(H2,26,27)(H,29,35)/t18-,19-,21+/m1/s1
InChIKeyBSISHEWSCGEKCQ-SBHAEUEKSA-N
MW475.55 g/mol
LogP2.29
Rot. Bonds7

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

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (PubChem CID 139402859) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
PubChem CID139402859
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
SMILESCC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccccc1
InChIInChI=1S/C25H29N7O3/c1-4-19(17-8-6-5-7-9-17)29-25(35)32-21(23(34)31(3)24-28-12-13-30(24)2)18(22(32)33)14-16-10-11-27-20(26)15-16/h5-13,15,18-19,21H,4,14H2,1-3H3,(H2,26,27)(H,29,35)/t18-,19-,21+/m1/s1
InChIKeyBSISHEWSCGEKCQ-SBHAEUEKSA-N
XLogP2.29
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(4-{imidazo[1,2-a]pyridin-6-yl}phenyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895714
KDR Kinase Inhibitor, 3
CID 139402916
N-{2-methyl-1-[(pyridin-2-ylamino)carbonyl]propyl}cyclohexanecarboxamide
CID 3239768
2-(8-acetamido-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 10596693
2-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N-propylacetamide
CID 10827581
2-(8-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylacetamide
CID 11792170
N-(5-Methyl-imidazo[1,2-a]pyridin-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9802758
N-Imidazo[1,2-a]pyridin-6-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9823195
N-Imidazo[1,2-a]pyridin-7-ylmethyl-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9844807
4-{5-[(2-Oxo-1-pyridin-2-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 11824866
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylimidazol-1-yl)pyridine-3-carboxamide
CID 25157065
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenylimidazol-1-yl)pyridine-3-carboxamide
CID 25157961

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (CID 139402859) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide.
What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide is CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccccc1.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The InChIKey is BSISHEWSCGEKCQ-SBHAEUEKSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-4-19(17-8-6-5-7-9-17)29-25(35)32-21(23(34)31(3)24-28-12-13-30(24)2)18(22(32)33)14-16-10-11-27-20(26)15-16/h5-13,15,18-19,21H,4,14H2,1-3H3,(H2,26,27)(H,29,35)/t18-,19-,21+/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.29, 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-4-pyridinyl)methyl]-2-N-methyl-2-N-(1-methylimidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 139402859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).