N-butyl-3-(pyridin-4-ylamino)propanamide

C12H19N3O — CID 129043658

IUPACN-butyl-3-(pyridin-4-ylamino)propanamide
SMILESCCCCNC(=O)CCNc1ccncc1
InChIInChI=1S/C12H19N3O/c1-2-3-7-15-12(16)6-10-14-11-4-8-13-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,13,14)(H,15,16)
InChIKeyRVCBOIGTFVFCAP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.80
Rot. Bonds7

About N-butyl-3-(pyridin-4-ylamino)propanamide

N-butyl-3-(pyridin-4-ylamino)propanamide (PubChem CID 129043658) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-butyl-3-(pyridin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(pyridin-4-ylamino)propanamide
PubChem CID129043658
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-butyl-3-(pyridin-4-ylamino)propanamide
SMILESCCCCNC(=O)CCNc1ccncc1
InChIInChI=1S/C12H19N3O/c1-2-3-7-15-12(16)6-10-14-11-4-8-13-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,13,14)(H,15,16)
InChIKeyRVCBOIGTFVFCAP-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
3-[4-(dimethylamino)anilino]-N-pentylpropanamide
CID 109032181
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
3-(3,5-dimethylanilino)-N-pentylpropanamide
CID 109032129
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
N-butylpyridine-4-carboxamide
CID 5030535
N-(3-anilinopropyl)nonanamide
CID 56586452
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(pyridin-4-ylamino)propanamide?
The IUPAC name of N-butyl-3-(pyridin-4-ylamino)propanamide (CID 129043658) is N-butyl-3-(pyridin-4-ylamino)propanamide.
What is the SMILES notation for N-butyl-3-(pyridin-4-ylamino)propanamide?
The canonical SMILES for N-butyl-3-(pyridin-4-ylamino)propanamide is CCCCNC(=O)CCNc1ccncc1.
What is the InChIKey of N-butyl-3-(pyridin-4-ylamino)propanamide?
The InChIKey is RVCBOIGTFVFCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-7-15-12(16)6-10-14-11-4-8-13-9-5-11/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-butyl-3-(pyridin-4-ylamino)propanamide?
N-butyl-3-(pyridin-4-ylamino)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(pyridin-4-ylamino)propanamide is sourced from PubChem (CID 129043658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).