N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

C26H27N5O — CID 53354707

IUPACN-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CC[C@@H](N(C)C)C3)nc2)cccc1-c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O/c1-18-23(20-9-7-19(15-27)8-10-20)5-4-6-24(18)29-26(32)21-11-12-25(28-16-21)31-14-13-22(17-31)30(2)3/h4-12,16,22H,13-14,17H2,1-3H3,(H,29,32)/t22-/m1/s1
InChIKeyCPZFVLVHWRCSBW-JOCHJYFZSA-N
MW425.54 g/mol
LogP4.32
Rot. Bonds5

About N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide

N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 53354707) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID53354707
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(N3CC[C@@H](N(C)C)C3)nc2)cccc1-c1ccc(C#N)cc1
InChIInChI=1S/C26H27N5O/c1-18-23(20-9-7-19(15-27)8-10-20)5-4-6-24(18)29-26(32)21-11-12-25(28-16-21)31-14-13-22(17-31)30(2)3/h4-12,16,22H,13-14,17H2,1-3H3,(H,29,32)/t22-/m1/s1
InChIKeyCPZFVLVHWRCSBW-JOCHJYFZSA-N
XLogP4.32
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-3-(4-cyanophenyl)phenyl]-6-(3,5-dimethyl-4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 144929941
6-(4-methylsulfonylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354500
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 126509856
6-(4-benzylpiperazin-1-yl)-N-[2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]pyridine-3-carboxamide
CID 53354399
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
6-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76986817
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
3-(4-cyanophenyl)-N-[6-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 24775002

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 53354707) is N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is Cc1c(NC(=O)c2ccc(N3CC[C@@H](N(C)C)C3)nc2)cccc1-c1ccc(C#N)cc1.
What is the InChIKey of N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is CPZFVLVHWRCSBW-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-23(20-9-7-19(15-27)8-10-20)5-4-6-24(18)29-26(32)21-11-12-25(28-16-21)31-14-13-22(17-31)30(2)3/h4-12,16,22H,13-14,17H2,1-3H3,(H,29,32)/t22-/m1/s1.
What are the key properties of N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53354707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).