2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile

C21H22ClN5 — CID 58215730

IUPAC2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cncc(CN3CCC(N)CC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C21H22ClN5/c1-26-20-9-16(22)2-3-18(20)19(10-23)21(26)15-8-14(11-25-12-15)13-27-6-4-17(24)5-7-27/h2-3,8-9,11-12,17H,4-7,13,24H2,1H3
InChIKeyWJDAVQCGZSTBRW-UHFFFAOYSA-N
MW379.90 g/mol
LogP3.69
Rot. Bonds3

About 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile

2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile (PubChem CID 58215730) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
PubChem CID58215730
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
SMILESCn1c(-c2cncc(CN3CCC(N)CC3)c2)c(C#N)c2ccc(Cl)cc21
InChIInChI=1S/C21H22ClN5/c1-26-20-9-16(22)2-3-18(20)19(10-23)21(26)15-8-14(11-25-12-15)13-27-6-4-17(24)5-7-27/h2-3,8-9,11-12,17H,4-7,13,24H2,1H3
InChIKeyWJDAVQCGZSTBRW-UHFFFAOYSA-N
XLogP3.69
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-methyl-2-[5-[(4-methyl-3-oxopiperazin-1-yl)methyl]-3-pyridinyl]indole-3-carbonitrile
CID 58215564
6-chloro-1-methyl-2-[5-[[(1-methylpiperidin-4-yl)amino]methyl]-3-pyridinyl]indole-3-carbonitrile
CID 59534644
2-[5-[amino-[(3R)-pyrrolidin-3-yl]methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile
CID 174820898
N-[[5-(6-chloro-3-cyano-1-methylindol-2-yl)-3-pyridinyl]methyl]-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 59534638
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-[[5-(3-chlorophenyl)-3-pyridinyl]methyl]-4-methylpiperazine
CID 42851810
1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
CID 122457687
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
2,4-diamino-6-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyrimidine-5-carbonitrile
CID 169396639
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The IUPAC name of 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile (CID 58215730) is 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile is Cn1c(-c2cncc(CN3CCC(N)CC3)c2)c(C#N)c2ccc(Cl)cc21.
What is the InChIKey of 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
The InChIKey is WJDAVQCGZSTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-26-20-9-16(22)2-3-18(20)19(10-23)21(26)15-8-14(11-25-12-15)13-27-6-4-17(24)5-7-27/h2-3,8-9,11-12,17H,4-7,13,24H2,1H3.
What are the key properties of 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile?
2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile has a molecular weight of 379.90 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-aminopiperidin-1-yl)methyl]-3-pyridinyl]-6-chloro-1-methylindole-3-carbonitrile is sourced from PubChem (CID 58215730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).