(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide

C25H29N7O4 — CID 139402958

IUPAC(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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)C1=NC(=O)CN1C)c1ccccc1
InChIInChI=1S/C25H29N7O4/c1-4-18(16-8-6-5-7-9-16)28-25(36)32-21(23(35)31(3)24-29-20(33)14-30(24)2)17(22(32)34)12-15-10-11-27-19(26)13-15/h5-11,13,17-18,21H,4,12,14H2,1-3H3,(H2,26,27)(H,28,36)/t17-,18-,21+/m1/s1
InChIKeyJPVRDLZAUDNTOC-OPYAIIAOSA-N
MW491.55 g/mol
LogP1.18
Rot. Bonds6

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (PubChem CID 139402958) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide
PubChem CID139402958
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Name(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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)C1=NC(=O)CN1C)c1ccccc1
InChIInChI=1S/C25H29N7O4/c1-4-18(16-8-6-5-7-9-16)28-25(36)32-21(23(35)31(3)24-29-20(33)14-30(24)2)17(22(32)34)12-15-10-11-27-19(26)13-15/h5-11,13,17-18,21H,4,12,14H2,1-3H3,(H2,26,27)(H,28,36)/t17-,18-,21+/m1/s1
InChIKeyJPVRDLZAUDNTOC-OPYAIIAOSA-N
XLogP1.18
TPSA141.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide (CID 139402958) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-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)C1=NC(=O)CN1C)c1ccccc1.
What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide?
The InChIKey is JPVRDLZAUDNTOC-OPYAIIAOSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-4-18(16-8-6-5-7-9-16)28-25(36)32-21(23(35)31(3)24-29-20(33)14-30(24)2)17(22(32)34)12-15-10-11-27-19(26)13-15/h5-11,13,17-18,21H,4,12,14H2,1-3H3,(H2,26,27)(H,28,36)/t17-,18-,21+/m1/s1.
What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-methyl-2-N-(3-methyl-5-oxo-4H-imidazol-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-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide has a molecular weight of 491.55 g/mol, XLogP of 1.18, 6 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-(3-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-N-[(1R)-1-phenylpropyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 139402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).