N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide

C12H19N3O — CID 63767262

IUPACN-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-3-12(4-2,9-13)15-11(16)10-6-5-7-14-8-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16)
InChIKeyQCXOYSSWLUZRTF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.33
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide (PubChem CID 63767262) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
PubChem CID63767262
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1cccnc1
InChIInChI=1S/C12H19N3O/c1-3-12(4-2,9-13)15-11(16)10-6-5-7-14-8-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16)
InChIKeyQCXOYSSWLUZRTF-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-(1-chloro-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 114303570
N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119569353
N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
iodoethane;pyridine-3-carboxylic acid
CID 158495952
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[3-(aminomethyl)pentan-3-yl]-2,6-dihydroxybenzamide
CID 107690286

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide (CID 63767262) is N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide is CCC(CC)(CN)NC(=O)c1cccnc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide?
The InChIKey is QCXOYSSWLUZRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-12(4-2,9-13)15-11(16)10-6-5-7-14-8-10/h5-8H,3-4,9,13H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 63767262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).