6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine

C23H27F2N5O — CID 156638413

IUPAC6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine
SMILESCC1CCN(c2c(C(=O)NCC3CC3)cnc(C#N)c2-c2cc(F)cc(F)c2)C1.CN
InChIInChI=1S/C22H22F2N4O.CH5N/c1-13-4-5-28(12-13)21-18(22(29)27-10-14-2-3-14)11-26-19(9-25)20(21)15-6-16(23)8-17(24)7-15;1-2/h6-8,11,13-14H,2-5,10,12H2,1H3,(H,27,29);2H2,1H3
InChIKeyGTJAEORSESDWJS-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.46
Rot. Bonds5

About 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine

6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine (PubChem CID 156638413) has the molecular formula C23H27F2N5O and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine.

Molecular Properties

Compound Name6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine
PubChem CID156638413
Molecular FormulaC23H27F2N5O
Molecular Weight427.50 g/mol
Exact Mass427.22
IUPAC Name6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine
SMILESCC1CCN(c2c(C(=O)NCC3CC3)cnc(C#N)c2-c2cc(F)cc(F)c2)C1.CN
InChIInChI=1S/C22H22F2N4O.CH5N/c1-13-4-5-28(12-13)21-18(22(29)27-10-14-2-3-14)11-26-19(9-25)20(21)15-6-16(23)8-17(24)7-15;1-2/h6-8,11,13-14H,2-5,10,12H2,1H3,(H,27,29);2H2,1H3
InChIKeyGTJAEORSESDWJS-UHFFFAOYSA-N
XLogP3.46
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109940
2-chloro-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 114034209
2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
CID 166319688
methyl N-[2-cyano-6-[3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinolin-6-yl]phenyl]carbamate
CID 134180097
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide
CID 121109874
4,5-difluoro-2-[(3-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107411339
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
N-[(1-ethylpiperidin-4-yl)methyl]-5-(4-fluorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 59333281
4-amino-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243278
methyl 4-[[(2-chloro-5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 163586952
methyl N-[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-cyano-4-pyridinyl]carbamate
CID 140837203
(3R)-4-amino-1-[6-(3-cyano-2-hydroxyphenyl)-3-(3,5-difluorophenyl)quinolin-4-yl]-N-methylpiperidine-3-carboxamide
CID 134180102

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?
The IUPAC name of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine (CID 156638413) is 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine.
What is the SMILES notation for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?
The canonical SMILES for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine is CC1CCN(c2c(C(=O)NCC3CC3)cnc(C#N)c2-c2cc(F)cc(F)c2)C1.CN.
What is the InChIKey of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?
The InChIKey is GTJAEORSESDWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O.CH5N/c1-13-4-5-28(12-13)21-18(22(29)27-10-14-2-3-14)11-26-19(9-25)20(21)15-6-16(23)8-17(24)7-15;1-2/h6-8,11,13-14H,2-5,10,12H2,1H3,(H,27,29);2H2,1H3.
What are the key properties of 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine?
6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine has a molecular weight of 427.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-4-(3-methylpyrrolidin-1-yl)pyridine-3-carboxamide;methanamine is sourced from PubChem (CID 156638413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).