N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide

C13H22N4O — CID 113423927

IUPACN-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cncc(NC)c1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17-13(18)5-6-16-12-7-11(14-3)8-15-9-12/h7-10,14,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyBGLHQBWYEBOVEQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.84
Rot. Bonds7

About N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide

N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide (PubChem CID 113423927) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
PubChem CID113423927
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cncc(NC)c1
InChIInChI=1S/C13H22N4O/c1-4-10(2)17-13(18)5-6-16-12-7-11(14-3)8-15-9-12/h7-10,14,16H,4-6H2,1-3H3,(H,17,18)
InChIKeyBGLHQBWYEBOVEQ-UHFFFAOYSA-N
XLogP1.84
TPSA66.05 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 ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
5-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 61150398
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
N-butan-2-yl-3-(3-cyanoanilino)propanamide
CID 109013061
N-butan-2-yl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80792142
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
CID 104767059

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide (CID 113423927) is N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide is CCC(C)NC(=O)CCNc1cncc(NC)c1.
What is the InChIKey of N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
The InChIKey is BGLHQBWYEBOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10(2)17-13(18)5-6-16-12-7-11(14-3)8-15-9-12/h7-10,14,16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide?
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 113423927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).