6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide

C24H29N7O2 — CID 118416740

IUPAC6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc(C#N)cn3)cc2NC2CCC2)CC1
InChIInChI=1S/C24H29N7O2/c1-26-23(32)16-6-8-18(9-7-16)30-24(33)19-14-28-22(11-20(19)29-17-3-2-4-17)31-21-10-5-15(12-25)13-27-21/h5,10-11,13-14,16-18H,2-4,6-9H2,1H3,(H,26,32)(H,30,33)(H2,27,28,29,31)
InChIKeyYQIMMBXCWCQFET-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.09
Rot. Bonds7

About 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide

6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 118416740) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID118416740
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
SMILESCNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc(C#N)cn3)cc2NC2CCC2)CC1
InChIInChI=1S/C24H29N7O2/c1-26-23(32)16-6-8-18(9-7-16)30-24(33)19-14-28-22(11-20(19)29-17-3-2-4-17)31-21-10-5-15(12-25)13-27-21/h5,10-11,13-14,16-18H,2-4,6-9H2,1H3,(H,26,32)(H,30,33)(H2,27,28,29,31)
InChIKeyYQIMMBXCWCQFET-UHFFFAOYSA-N
XLogP3.09
TPSA131.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206095
4-[(3-aminocyclopentyl)amino]-6-[(5-cyano-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 164599336
N-cyclohexyl-4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide;ethane
CID 142615931
6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 67372281
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-methyl-4-[[3-(methylcarbamoyl)cyclobutyl]amino]pyridine-3-carboxamide
CID 138703669
methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate
CID 138728703
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 155537151
N-[4-[(5-cyano-2-pyridinyl)oxy]cyclohexyl]acetamide
CID 71063607

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide (CID 118416740) is 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide is CNC(=O)C1CCC(NC(=O)c2cnc(Nc3ccc(C#N)cn3)cc2NC2CCC2)CC1.
What is the InChIKey of 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is YQIMMBXCWCQFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-26-23(32)16-6-8-18(9-7-16)30-24(33)19-14-28-22(11-20(19)29-17-3-2-4-17)31-21-10-5-15(12-25)13-27-21/h5,10-11,13-14,16-18H,2-4,6-9H2,1H3,(H,26,32)(H,30,33)(H2,27,28,29,31).
What are the key properties of 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide?
6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 118416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).