(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide

C27H25N5O2 — CID 46853632

IUPAC(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1
InChIInChI=1S/C27H25N5O2/c33-25-22(17-21(18-30-25)20-9-14-28-15-10-20)31-26(34)23(16-19-6-2-1-3-7-19)32-27(11-12-27)24-8-4-5-13-29-24/h1-10,13-15,17-18,23,32H,11-12,16H2,(H,30,33)(H,31,34)/t23-/m0/s1
InChIKeyQQQMLGGCBKAPKW-QHCPKHFHSA-N
MW451.53 g/mol
LogP3.66
Rot. Bonds8

About (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide (PubChem CID 46853632) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
PubChem CID46853632
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1
InChIInChI=1S/C27H25N5O2/c33-25-22(17-21(18-30-25)20-9-14-28-15-10-20)31-26(34)23(16-19-6-2-1-3-7-19)32-27(11-12-27)24-8-4-5-13-29-24/h1-10,13-15,17-18,23,32H,11-12,16H2,(H,30,33)(H,31,34)/t23-/m0/s1
InChIKeyQQQMLGGCBKAPKW-QHCPKHFHSA-N
XLogP3.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The IUPAC name of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide (CID 46853632) is (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1.
What is the InChIKey of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The InChIKey is QQQMLGGCBKAPKW-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H25N5O2/c33-25-22(17-21(18-30-25)20-9-14-28-15-10-20)31-26(34)23(16-19-6-2-1-3-7-19)32-27(11-12-27)24-8-4-5-13-29-24/h1-10,13-15,17-18,23,32H,11-12,16H2,(H,30,33)(H,31,34)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide has a molecular weight of 451.53 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide is sourced from PubChem (CID 46853632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).