3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide

C13H22N4O — CID 106098779

IUPAC3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
SMILESCCCNc1cncc(NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C13H22N4O/c1-4-5-16-10-6-11(9-15-8-10)17-13(2,3)7-12(14)18/h6,8-9,16-17H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyJAAAVNAQIHZKSQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.97
Rot. Bonds7

About 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide

3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide (PubChem CID 106098779) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
PubChem CID106098779
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
SMILESCCCNc1cncc(NC(C)(C)CC(N)=O)c1
InChIInChI=1S/C13H22N4O/c1-4-5-16-10-6-11(9-15-8-10)17-13(2,3)7-12(14)18/h6,8-9,16-17H,4-5,7H2,1-3H3,(H2,14,18)
InChIKeyJAAAVNAQIHZKSQ-UHFFFAOYSA-N
XLogP1.97
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[[5-(methylamino)-3-pyridinyl]amino]butanamide
CID 106098680
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
2-[[5-(propylamino)-3-pyridinyl]amino]ethanesulfonamide
CID 104532984
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
2-[cyclopentyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104533712
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide?
The IUPAC name of 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide (CID 106098779) is 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide?
The canonical SMILES for 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide is CCCNc1cncc(NC(C)(C)CC(N)=O)c1.
What is the InChIKey of 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide?
The InChIKey is JAAAVNAQIHZKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-16-10-6-11(9-15-8-10)17-13(2,3)7-12(14)18/h6,8-9,16-17H,4-5,7H2,1-3H3,(H2,14,18).
What are the key properties of 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide?
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide has a molecular weight of 250.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide is sourced from PubChem (CID 106098779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).