(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

C12H15N3 — CID 81405590

IUPAC(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cc[nH]c1)c1ccncc1
InChIInChI=1S/C12H15N3/c1-10(12-3-6-13-7-4-12)15-9-11-2-5-14-8-11/h2-8,10,14-15H,9H2,1H3/t10-/m0/s1
InChIKeyJTZMPBJUJNMKNC-JTQLQIEISA-N
MW201.27 g/mol
LogP2.26
Rot. Bonds4

About (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine

(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (PubChem CID 81405590) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
PubChem CID81405590
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
SMILESC[C@H](NCc1cc[nH]c1)c1ccncc1
InChIInChI=1S/C12H15N3/c1-10(12-3-6-13-7-4-12)15-9-11-2-5-14-8-11/h2-8,10,14-15H,9H2,1H3/t10-/m0/s1
InChIKeyJTZMPBJUJNMKNC-JTQLQIEISA-N
XLogP2.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine 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

1-(4-bromophenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408975
(1S)-1-(4-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81370646
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81376430
1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408062
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
2-[4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenyl]acetic acid
CID 103258913

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine (CID 81405590) is (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is C[C@H](NCc1cc[nH]c1)c1ccncc1.
What is the InChIKey of (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
The InChIKey is JTZMPBJUJNMKNC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3/c1-10(12-3-6-13-7-4-12)15-9-11-2-5-14-8-11/h2-8,10,14-15H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine?
(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine is sourced from PubChem (CID 81405590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).