3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide

C12H19N3O — CID 81070527

IUPAC3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ncccc1C
InChIInChI=1S/C12H19N3O/c1-3-10(8-13)7-11(16)15-12-9(2)5-4-6-14-12/h4-6,10H,3,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyTWSHKXQKNSRSNZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds5

About 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide

3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide (PubChem CID 81070527) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
PubChem CID81070527
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ncccc1C
InChIInChI=1S/C12H19N3O/c1-3-10(8-13)7-11(16)15-12-9(2)5-4-6-14-12/h4-6,10H,3,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyTWSHKXQKNSRSNZ-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-fluoro-3-methylphenyl)pentanamide
CID 114254689
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
3-(aminomethyl)-N-(2-hydroxyphenyl)pentanamide
CID 81080185
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide (CID 81070527) is 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide is CCC(CN)CC(=O)Nc1ncccc1C.
What is the InChIKey of 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide?
The InChIKey is TWSHKXQKNSRSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10(8-13)7-11(16)15-12-9(2)5-4-6-14-12/h4-6,10H,3,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide?
3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methyl-2-pyridinyl)pentanamide is sourced from PubChem (CID 81070527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).