3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide

C12H19N3O — CID 144912549

IUPAC3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ncccc1C(C)C
InChIInChI=1S/C12H19N3O/c1-8(2)10-5-4-6-14-12(10)15-9(3)7-11(13)16/h4-6,8-9H,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyLOEIWTMMPDNQDM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds5

About 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide

3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide (PubChem CID 144912549) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
PubChem CID144912549
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ncccc1C(C)C
InChIInChI=1S/C12H19N3O/c1-8(2)10-5-4-6-14-12(10)15-9(3)7-11(13)16/h4-6,8-9H,7H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyLOEIWTMMPDNQDM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-nitro-2-pyridinyl)amino]butanamide
CID 115647564
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
1-methoxy-3-(3-propan-2-yl-2-pyridinyl)urea
CID 134178395
3-[(2-methylpyrazol-3-yl)amino]butanamide
CID 115921263
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]butanamide
CID 115685028
3-(quinolin-4-ylamino)butanamide
CID 115685011
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
3-[[2-(trifluoromethyl)-4-pyridinyl]amino]butanamide
CID 114270159
3-(1,2,4-thiadiazol-5-ylamino)butanamide
CID 115777443
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
(2S)-2-[(3-amino-2-pyridinyl)amino]propan-1-ol
CID 93081574

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide?
The IUPAC name of 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide (CID 144912549) is 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide?
The canonical SMILES for 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide is CC(CC(N)=O)Nc1ncccc1C(C)C.
What is the InChIKey of 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide?
The InChIKey is LOEIWTMMPDNQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)10-5-4-6-14-12(10)15-9(3)7-11(13)16/h4-6,8-9H,7H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide?
3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 144912549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).