N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide

C20H22N4O — CID 125008427

IUPACN-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C20H22N4O/c1-23(20(25)18-13-15-7-2-3-9-17(15)22-18)16-8-6-12-24(14-16)19-10-4-5-11-21-19/h2-5,7,9-11,13,16,22H,6,8,12,14H2,1H3/t16-/m0/s1
InChIKeyUUZVWHSLKREPBM-INIZCTEOSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds3

About N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide

N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 125008427) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID125008427
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C20H22N4O/c1-23(20(25)18-13-15-7-2-3-9-17(15)22-18)16-8-6-12-24(14-16)19-10-4-5-11-21-19/h2-5,7,9-11,13,16,22H,6,8,12,14H2,1H3/t16-/m0/s1
InChIKeyUUZVWHSLKREPBM-INIZCTEOSA-N
XLogP3.30
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 441386
Delavirdine
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LY-517717
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Sotrastaurin
CID 10296883
Gsk2816126
CID 68210102
Delavuridine
CID 72346
(3H)Osip339391
CID 5311041
1-((6-Cyano-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454726
Piperazine, 1-((6-formyl-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 454727
1-(5-((N-(methyl)methylsulfonylamino)-2-indolyl)carbonyl)-4-(3-(isopropylamino)-2-pyridinyl)piperazine
CID 454735
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217
1-[(5-Methanesulfonamidoindol-2-yl)carbonyl]-4-[N-methyl-N-[3-[(cyclopropylmethyl)amino]-2-pyridinyl]amino]piperidine
CID 462960

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide (CID 125008427) is N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide is CN(C(=O)c1cc2ccccc2[nH]1)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is UUZVWHSLKREPBM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(20(25)18-13-15-7-2-3-9-17(15)22-18)16-8-6-12-24(14-16)19-10-4-5-11-21-19/h2-5,7,9-11,13,16,22H,6,8,12,14H2,1H3/t16-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide?
N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 125008427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).