N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide

C19H22N4O2 — CID 120575116

IUPACN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-17(8-4-10-21-13)23-18(24)14-5-2-7-16(11-14)22-19(25)15-6-3-9-20-12-15/h2-3,5-7,9,11-13,17,21H,4,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGCJDOEWUJHINKN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds4

About N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 120575116) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID120575116
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC1NCCCC1NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-17(8-4-10-21-13)23-18(24)14-5-2-7-16(11-14)22-19(25)15-6-3-9-20-12-15/h2-3,5-7,9,11-13,17,21H,4,8,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyGCJDOEWUJHINKN-UHFFFAOYSA-N
XLogP2.20
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 120577421
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120574688
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 120575116) is N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide is CC1NCCCC1NC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is GCJDOEWUJHINKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17(8-4-10-21-13)23-18(24)14-5-2-7-16(11-14)22-19(25)15-6-3-9-20-12-15/h2-3,5-7,9,11-13,17,21H,4,8,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpiperidin-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 120575116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).