N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

C13H17N3 — CID 114698730

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCc1cnccc1CNCc1ccn(C)c1
InChIInChI=1S/C13H17N3/c1-11-7-14-5-3-13(11)9-15-8-12-4-6-16(2)10-12/h3-7,10,15H,8-9H2,1-2H3
InChIKeyGLACXIOQPIQOBS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine

N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (PubChem CID 114698730) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
PubChem CID114698730
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
SMILESCc1cnccc1CNCc1ccn(C)c1
InChIInChI=1S/C13H17N3/c1-11-7-14-5-3-13(11)9-15-8-12-4-6-16(2)10-12/h3-7,10,15H,8-9H2,1-2H3
InChIKeyGLACXIOQPIQOBS-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
1-(6-methyl-3-pyridinyl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66398571
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
1-(3-methyl-4-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 114699789
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698931
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699033
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699523
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 66400598
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine (CID 114698730) is N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is Cc1cnccc1CNCc1ccn(C)c1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
The InChIKey is GLACXIOQPIQOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-7-14-5-3-13(11)9-15-8-12-4-6-16(2)10-12/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine?
N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 114698730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).