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

C27H26N6O2 — CID 67497012

IUPACN-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
SMILESCOc1ncc(-c2ccncc2)cc1NC(=O)C(Cc1ccccc1)NC1(c2ncccn2)CC1
InChIInChI=1S/C27H26N6O2/c1-35-25-23(17-21(18-31-25)20-8-14-28-15-9-20)32-24(34)22(16-19-6-3-2-4-7-19)33-27(10-11-27)26-29-12-5-13-30-26/h2-9,12-15,17-18,22,33H,10-11,16H2,1H3,(H,32,34)
InChIKeyNGCYGJISKHAYBI-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.77
Rot. Bonds9

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

N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide (PubChem CID 67497012) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
PubChem CID67497012
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
SMILESCOc1ncc(-c2ccncc2)cc1NC(=O)C(Cc1ccccc1)NC1(c2ncccn2)CC1
InChIInChI=1S/C27H26N6O2/c1-35-25-23(17-21(18-31-25)20-8-14-28-15-9-20)32-24(34)22(16-19-6-3-2-4-7-19)33-27(10-11-27)26-29-12-5-13-30-26/h2-9,12-15,17-18,22,33H,10-11,16H2,1H3,(H,32,34)
InChIKeyNGCYGJISKHAYBI-UHFFFAOYSA-N
XLogP3.77
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide with MolForge

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Related Compounds

(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide
CID 71453406
2-[2-oxo-3-[[(2S)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanoyl]amino]-5-pyridin-4-yl-1-pyridinyl]acetic acid
CID 71458768
tert-butyl N-[(2S)-1-[[2-methoxy-5-(1H-pyrazol-5-yl)-3-pyridinyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 71490913
[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
CID 141165087
2-[[3-[(2-amino-3-phenylpropanoyl)amino]-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]acetic acid
CID 67497912
(2S)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73352401
tert-butyl N-[(2S)-1-(2-butoxy-5-pyridin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70865482
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3-pyridin-4-ylanilino)propan-2-yl]carbamate
CID 71490875
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
(2S)-2-(methylamino)-3-(3-pyridin-4-ylphenyl)propanoic acid
CID 162376820
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The IUPAC name of N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide (CID 67497012) is N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide.
What is the SMILES notation for N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The canonical SMILES for N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide is COc1ncc(-c2ccncc2)cc1NC(=O)C(Cc1ccccc1)NC1(c2ncccn2)CC1.
What is the InChIKey of N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
The InChIKey is NGCYGJISKHAYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-35-25-23(17-21(18-31-25)20-8-14-28-15-9-20)32-24(34)22(16-19-6-3-2-4-7-19)33-27(10-11-27)26-29-12-5-13-30-26/h2-9,12-15,17-18,22,33H,10-11,16H2,1H3,(H,32,34).
What are the key properties of N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide?
N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide has a molecular weight of 466.55 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pyridin-4-yl-3-pyridinyl)-3-phenyl-2-[(1-pyrimidin-2-ylcyclopropyl)amino]propanamide is sourced from PubChem (CID 67497012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).