4-(pyridin-4-ylamino)butan-2-one

C9H12N2O — CID 89125446

IUPAC4-(pyridin-4-ylamino)butan-2-one
SMILESCC(=O)CCNc1ccncc1
InChIInChI=1S/C9H12N2O/c1-8(12)2-7-11-9-3-5-10-6-4-9/h3-6H,2,7H2,1H3,(H,10,11)
InChIKeyBMJFERZIADGPSQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.47
Rot. Bonds4

About 4-(pyridin-4-ylamino)butan-2-one

4-(pyridin-4-ylamino)butan-2-one (PubChem CID 89125446) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-(pyridin-4-ylamino)butan-2-one.

Molecular Properties

Compound Name4-(pyridin-4-ylamino)butan-2-one
PubChem CID89125446
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-(pyridin-4-ylamino)butan-2-one
SMILESCC(=O)CCNc1ccncc1
InChIInChI=1S/C9H12N2O/c1-8(12)2-7-11-9-3-5-10-6-4-9/h3-6H,2,7H2,1H3,(H,10,11)
InChIKeyBMJFERZIADGPSQ-UHFFFAOYSA-N
XLogP1.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
4-(2-pyridin-4-ylethylamino)butan-2-one
CID 115235981
2-methyl-4-(pyridin-4-ylamino)butanoic acid
CID 80539478
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
2-methyl-3-(pyridin-4-ylamino)propanoic acid
CID 46848736
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid
CID 115220231
methyl 2,2-dimethyl-3-(pyridin-4-ylamino)propanoate
CID 115233602
3-(2-methylanilino)-N-pyridin-4-ylpropanamide
CID 47111734
1-[(4-methylphenyl)methyl]-3-[2-(pyridin-4-ylamino)ethyl]urea
CID 47051665

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylamino)butan-2-one?
The IUPAC name of 4-(pyridin-4-ylamino)butan-2-one (CID 89125446) is 4-(pyridin-4-ylamino)butan-2-one.
What is the SMILES notation for 4-(pyridin-4-ylamino)butan-2-one?
The canonical SMILES for 4-(pyridin-4-ylamino)butan-2-one is CC(=O)CCNc1ccncc1.
What is the InChIKey of 4-(pyridin-4-ylamino)butan-2-one?
The InChIKey is BMJFERZIADGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-8(12)2-7-11-9-3-5-10-6-4-9/h3-6H,2,7H2,1H3,(H,10,11).
What are the key properties of 4-(pyridin-4-ylamino)butan-2-one?
4-(pyridin-4-ylamino)butan-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylamino)butan-2-one is sourced from PubChem (CID 89125446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).