1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine

C21H26N4 — CID 119125461

IUPAC1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2ccnc(N3CCCCCC3)c2)c2cc[nH]c2c1
InChIInChI=1S/C21H26N4/c1-2-4-13-25(12-3-1)21-14-17(8-10-24-21)15-22-16-18-6-5-7-20-19(18)9-11-23-20/h5-11,14,22-23H,1-4,12-13,15-16H2
InChIKeyMOYONOCKZWSSJL-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine

1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine (PubChem CID 119125461) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
PubChem CID119125461
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2ccnc(N3CCCCCC3)c2)c2cc[nH]c2c1
InChIInChI=1S/C21H26N4/c1-2-4-13-25(12-3-1)21-14-17(8-10-24-21)15-22-16-18-6-5-7-20-19(18)9-11-23-20/h5-11,14,22-23H,1-4,12-13,15-16H2
InChIKeyMOYONOCKZWSSJL-UHFFFAOYSA-N
XLogP4.23
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2,3-diethoxyphenyl)methyl]methanamine
CID 163367052
1-[2-(azepan-1-yl)-4-pyridinyl]-N-[(2-methylphenyl)methyl]methanamine
CID 163367035
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-[(2,4-dimethoxyphenyl)methyl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)methanamine
CID 47030593
4-[[[2-(azepan-1-yl)-4-pyridinyl]methylamino]methyl]benzonitrile
CID 119125452
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
CID 119110221
N-(1,3-benzodioxol-4-ylmethyl)-1-[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methanamine
CID 163366991
2-methoxy-5-[[(2-piperidin-1-yl-4-pyridinyl)methylamino]methyl]phenol
CID 163366722
N-[(2-methoxy-6-methylphenyl)methyl]-1-(2-piperidin-1-yl-4-pyridinyl)methanamine
CID 163366731
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine?
The IUPAC name of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine (CID 119125461) is 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine is c1cc(CNCc2ccnc(N3CCCCCC3)c2)c2cc[nH]c2c1.
What is the InChIKey of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine?
The InChIKey is MOYONOCKZWSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-2-4-13-25(12-3-1)21-14-17(8-10-24-21)15-22-16-18-6-5-7-20-19(18)9-11-23-20/h5-11,14,22-23H,1-4,12-13,15-16H2.
What are the key properties of 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine?
1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine has a molecular weight of 334.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)-4-pyridinyl]-N-(1H-indol-4-ylmethyl)methanamine is sourced from PubChem (CID 119125461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).