(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

C26H25N5O2S — CID 71455108

IUPAC(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESCc1nc(C2(N[C@@H](Cc3ccccc3)C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)CC2)cs1
InChIInChI=1S/C26H25N5O2S/c1-17-29-23(16-34-17)26(9-10-26)31-22(13-18-5-3-2-4-6-18)25(33)30-21-14-20(15-28-24(21)32)19-7-11-27-12-8-19/h2-8,11-12,14-16,22,31H,9-10,13H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1
InChIKeyAULGPOMNVKYHNM-QFIPXVFZSA-N
MW471.59 g/mol
LogP4.03
Rot. Bonds8

About (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide

(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (PubChem CID 71455108) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
PubChem CID71455108
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
SMILESCc1nc(C2(N[C@@H](Cc3ccccc3)C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)CC2)cs1
InChIInChI=1S/C26H25N5O2S/c1-17-29-23(16-34-17)26(9-10-26)31-22(13-18-5-3-2-4-6-18)25(33)30-21-14-20(15-28-24(21)32)19-7-11-27-12-8-19/h2-8,11-12,14-16,22,31H,9-10,13H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1
InChIKeyAULGPOMNVKYHNM-QFIPXVFZSA-N
XLogP4.03
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide (CID 71455108) is (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is Cc1nc(C2(N[C@@H](Cc3ccccc3)C(=O)Nc3cc(-c4ccncc4)c[nH]c3=O)CC2)cs1.
What is the InChIKey of (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
The InChIKey is AULGPOMNVKYHNM-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-29-23(16-34-17)26(9-10-26)31-22(13-18-5-3-2-4-6-18)25(33)30-21-14-20(15-28-24(21)32)19-7-11-27-12-8-19/h2-8,11-12,14-16,22,31H,9-10,13H2,1H3,(H,28,32)(H,30,33)/t22-/m0/s1.
What are the key properties of (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide?
(2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide has a molecular weight of 471.59 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(2-methyl-1,3-thiazol-4-yl)cyclopropyl]amino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 71455108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).