N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C24H25N7O2 — CID 54760758

IUPACN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33)
InChIKeyYRBBKLUCNNADSQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760758) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760758
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC NameN-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33)
InChIKeyYRBBKLUCNNADSQ-UHFFFAOYSA-N
XLogP3.81
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (2-cyclohexyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-amide
CID 53328447
6-cyclopropyl-N-[1-(2-methylpropyl)-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328989
N-[1-(cyclopentylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329168
N-[1-(cyclohexylmethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329169
6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54761643
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-fluorophenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548152
6-cyclopropyl-N-[5-fluoro-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548190
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548204
3-[4-[[6-Cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-3-(methylcarbamoyl)phenyl]propanoic acid
CID 58548211
Ethyl 3-[4-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-3-(methylcarbamoyl)phenyl]propanoate
CID 58548215
N-[2-(azetidine-1-carbonyl)-5-fluorophenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548219

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760758) is N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(NC1CCCC1)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YRBBKLUCNNADSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c32-23(29-16-3-1-2-4-16)18-9-10-25-13-21(18)31-24(33)22-20(28-17-11-26-14-27-12-17)8-7-19(30-22)15-5-6-15/h7-16,28H,1-6H2,(H,29,32)(H,31,33).
What are the key properties of N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylcarbamoyl)-3-pyridinyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).