N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

C21H18ClN5O — CID 169024706

IUPACN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C21H18ClN5O/c1-13-4-5-15(11-16(13)17-7-9-25-20(22)27-17)26-19(28)14-6-8-24-18(10-14)21(2,3)12-23/h4-11H,1-3H3,(H,26,28)
InChIKeyGUUAYVFAYAJUDX-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.55
Rot. Bonds4

About N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (PubChem CID 169024706) has the molecular formula C21H18ClN5O and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
PubChem CID169024706
Molecular FormulaC21H18ClN5O
Molecular Weight391.86 g/mol
Exact Mass391.12
IUPAC NameN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(Cl)n1
InChIInChI=1S/C21H18ClN5O/c1-13-4-5-15(11-16(13)17-7-9-25-20(22)27-17)26-19(28)14-6-8-24-18(10-14)21(2,3)12-23/h4-11H,1-3H3,(H,26,28)
InChIKeyGUUAYVFAYAJUDX-UHFFFAOYSA-N
XLogP4.55
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-amino-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930339
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
CID 168929908
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 130404962
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(2,2-dimethylpropanoylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930406
N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130405188
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463027
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-[(2-methoxy-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930730
methyl N-[6-[5-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168929287
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[3-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 168930532
2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609615

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (CID 169024706) is N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1ccnc(Cl)n1.
What is the InChIKey of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The InChIKey is GUUAYVFAYAJUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O/c1-13-4-5-15(11-16(13)17-7-9-25-20(22)27-17)26-19(28)14-6-8-24-18(10-14)21(2,3)12-23/h4-11H,1-3H3,(H,26,28).
What are the key properties of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 169024706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).