(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine

C14H17N3 — CID 103954568

IUPAC(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cccnc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H17N3/c1-11-4-3-7-16-14(11)10-17-12(2)13-5-8-15-9-6-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyUMCRNONFWQKBII-LBPRGKRZSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds4

About (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 103954568) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID103954568
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
SMILESCc1cccnc1CN[C@@H](C)c1ccncc1
InChIInChI=1S/C14H17N3/c1-11-4-3-7-16-14(11)10-17-12(2)13-5-8-15-9-6-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1
InChIKeyUMCRNONFWQKBII-LBPRGKRZSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305824
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
(1S)-N-[(2,3-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406440
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine (CID 103954568) is (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine is Cc1cccnc1CN[C@@H](C)c1ccncc1.
What is the InChIKey of (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UMCRNONFWQKBII-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-3-7-16-14(11)10-17-12(2)13-5-8-15-9-6-13/h3-9,12,17H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 103954568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).