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

C13H15N3 — CID 28669732

IUPAC(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccncc1)c1cccnc1
InChIInChI=1S/C13H15N3/c1-11(13-3-2-6-15-10-13)16-9-12-4-7-14-8-5-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1
InChIKeyBCSQHXDTYPAQSS-NSHDSACASA-N
MW213.28 g/mol
LogP2.33
Rot. Bonds4

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

(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 28669732) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID28669732
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESC[C@H](NCc1ccncc1)c1cccnc1
InChIInChI=1S/C13H15N3/c1-11(13-3-2-6-15-10-13)16-9-12-4-7-14-8-5-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1
InChIKeyBCSQHXDTYPAQSS-NSHDSACASA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
CID 28712310
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474

Frequently Asked Questions

What is the IUPAC name of (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine (CID 28669732) is (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine is C[C@H](NCc1ccncc1)c1cccnc1.
What is the InChIKey of (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is BCSQHXDTYPAQSS-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3/c1-11(13-3-2-6-15-10-13)16-9-12-4-7-14-8-5-12/h2-8,10-11,16H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine?
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 213.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 28669732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).