3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide

C12H19N3O — CID 81071444

IUPAC3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)NCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-2-10(7-13)6-12(16)15-9-11-4-3-5-14-8-11/h3-5,8,10H,2,6-7,9,13H2,1H3,(H,15,16)
InChIKeyDRIJBBUIPNPWTP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds6

About 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide

3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 81071444) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID81071444
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)NCc1cccnc1
InChIInChI=1S/C12H19N3O/c1-2-10(7-13)6-12(16)15-9-11-4-3-5-14-8-11/h3-5,8,10H,2,6-7,9,13H2,1H3,(H,15,16)
InChIKeyDRIJBBUIPNPWTP-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
3,3-diphenyl-N-(pyridin-3-ylmethyl)propanamide
CID 690534
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
3-(aminomethyl)-N-[(4-nitrophenyl)methyl]pentanamide
CID 81075966
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide (CID 81071444) is 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide is CCC(CN)CC(=O)NCc1cccnc1.
What is the InChIKey of 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is DRIJBBUIPNPWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10(7-13)6-12(16)15-9-11-4-3-5-14-8-11/h3-5,8,10H,2,6-7,9,13H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide?
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 81071444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).