1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C16H17N3 — CID 102910898

IUPAC1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H17N3/c1-12-3-2-7-18-16(12)11-17-10-13-4-5-15-14(9-13)6-8-19-15/h2-9,17,19H,10-11H2,1H3
InChIKeyXLEONYQDGAXJSI-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.16
Rot. Bonds4

About 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 102910898) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID102910898
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H17N3/c1-12-3-2-7-18-16(12)11-17-10-13-4-5-15-14(9-13)6-8-19-15/h2-9,17,19H,10-11H2,1H3
InChIKeyXLEONYQDGAXJSI-UHFFFAOYSA-N
XLogP3.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305688
1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 102910896
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine;hydrochloride
CID 17221715
1-(3-ethoxy-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305644
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 102910898) is 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is XLEONYQDGAXJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-3-2-7-18-16(12)11-17-10-13-4-5-15-14(9-13)6-8-19-15/h2-9,17,19H,10-11H2,1H3.
What are the key properties of 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 102910898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).