(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide

C15H25N3O — CID 106935311

IUPAC(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
SMILESCCN(C(=O)C[C@@H](CN)CC(C)C)c1ccncc1
InChIInChI=1S/C15H25N3O/c1-4-18(14-5-7-17-8-6-14)15(19)10-13(11-16)9-12(2)3/h5-8,12-13H,4,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyQMUBQSNVALSUGL-ZDUSSCGKSA-N
MW263.38 g/mol
LogP2.45
Rot. Bonds7

About (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide

(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide (PubChem CID 106935311) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
PubChem CID106935311
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide
SMILESCCN(C(=O)C[C@@H](CN)CC(C)C)c1ccncc1
InChIInChI=1S/C15H25N3O/c1-4-18(14-5-7-17-8-6-14)15(19)10-13(11-16)9-12(2)3/h5-8,12-13H,4,9-11,16H2,1-3H3/t13-/m0/s1
InChIKeyQMUBQSNVALSUGL-ZDUSSCGKSA-N
XLogP2.45
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-ethyl-4-methyl-N-pyridin-4-ylpentanamide
CID 106935520
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
3-(aminomethyl)-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700340
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
3-(aminomethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)hexanamide
CID 79469974
3-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 81070672
3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
CID 107594988
3-cyano-N-ethyl-5-methyl-N-phenylhexanamide
CID 112516655
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide (CID 106935311) is (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide is CCN(C(=O)C[C@@H](CN)CC(C)C)c1ccncc1.
What is the InChIKey of (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide?
The InChIKey is QMUBQSNVALSUGL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(14-5-7-17-8-6-14)15(19)10-13(11-16)9-12(2)3/h5-8,12-13H,4,9-11,16H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide?
(3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide has a molecular weight of 263.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-ethyl-5-methyl-N-pyridin-4-ylhexanamide is sourced from PubChem (CID 106935311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).