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

C28H27N5O2 — CID 67496855

IUPAC(2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
SMILESCOc1ncc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1
InChIInChI=1S/C28H27N5O2/c1-35-27-24(18-22(19-31-27)21-10-15-29-16-11-21)32-26(34)23(17-20-7-3-2-4-8-20)33-28(12-13-28)25-9-5-6-14-30-25/h2-11,14-16,18-19,23,33H,12-13,17H2,1H3,(H,32,34)/t23-/m0/s1
InChIKeyIBYCTVAMYWOPHB-QHCPKHFHSA-N
MW465.56 g/mol
LogP4.38
Rot. Bonds9

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

(2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide (PubChem CID 67496855) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
PubChem CID67496855
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name(2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide
SMILESCOc1ncc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1
InChIInChI=1S/C28H27N5O2/c1-35-27-24(18-22(19-31-27)21-10-15-29-16-11-21)32-26(34)23(17-20-7-3-2-4-8-20)33-28(12-13-28)25-9-5-6-14-30-25/h2-11,14-16,18-19,23,33H,12-13,17H2,1H3,(H,32,34)/t23-/m0/s1
InChIKeyIBYCTVAMYWOPHB-QHCPKHFHSA-N
XLogP4.38
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide (CID 67496855) is (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide is COc1ncc(-c2ccncc2)cc1NC(=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1.
What is the InChIKey of (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
The InChIKey is IBYCTVAMYWOPHB-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-35-27-24(18-22(19-31-27)21-10-15-29-16-11-21)32-26(34)23(17-20-7-3-2-4-8-20)33-28(12-13-28)25-9-5-6-14-30-25/h2-11,14-16,18-19,23,33H,12-13,17H2,1H3,(H,32,34)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide?
(2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide has a molecular weight of 465.56 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanamide is sourced from PubChem (CID 67496855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).