5-[1-(butylamino)ethyl]pyridine-2-carboxamide

C12H19N3O — CID 69323463

IUPAC5-[1-(butylamino)ethyl]pyridine-2-carboxamide
SMILESCCCCNC(C)c1ccc(C(N)=O)nc1
InChIInChI=1S/C12H19N3O/c1-3-4-7-14-9(2)10-5-6-11(12(13)16)15-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,13,16)
InChIKeyJCDHUORWNQKKFM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds6

About 5-[1-(butylamino)ethyl]pyridine-2-carboxamide

5-[1-(butylamino)ethyl]pyridine-2-carboxamide (PubChem CID 69323463) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-[1-(butylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(butylamino)ethyl]pyridine-2-carboxamide
PubChem CID69323463
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-[1-(butylamino)ethyl]pyridine-2-carboxamide
SMILESCCCCNC(C)c1ccc(C(N)=O)nc1
InChIInChI=1S/C12H19N3O/c1-3-4-7-14-9(2)10-5-6-11(12(13)16)15-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,13,16)
InChIKeyJCDHUORWNQKKFM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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

6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
5-[(propan-2-ylamino)methyl]pyridine-2-carboxamide
CID 115906161
5-[4-(2,2,2-trifluoroethylamino)pentan-2-yl]pyridine-2-carboxamide
CID 69288768
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N-[1-(1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 104696536
[4-[1-[3-(diethylamino)propylamino]ethyl]phenyl]urea
CID 43763193
5-[1-(3-methylbutylamino)ethyl]pyridin-2-amine
CID 69291107
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
5-[1-(butylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 68832852
2-methyl-3-[4-[1-(propylamino)ethyl]phenoxy]propanamide
CID 43311925
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361

Frequently Asked Questions

What is the IUPAC name of 5-[1-(butylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[1-(butylamino)ethyl]pyridine-2-carboxamide (CID 69323463) is 5-[1-(butylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-(butylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-(butylamino)ethyl]pyridine-2-carboxamide is CCCCNC(C)c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-[1-(butylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is JCDHUORWNQKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-7-14-9(2)10-5-6-11(12(13)16)15-8-10/h5-6,8-9,14H,3-4,7H2,1-2H3,(H2,13,16).
What are the key properties of 5-[1-(butylamino)ethyl]pyridine-2-carboxamide?
5-[1-(butylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(butylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 69323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).