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

C13H22N4O — CID 113424250

IUPAC2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
SMILESCNc1cncc(NC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C13H22N4O/c1-9(2)6-16-13(18)10(3)17-12-5-11(14-4)7-15-8-12/h5,7-10,14,17H,6H2,1-4H3,(H,16,18)
InChIKeyKHBRGDHXJGNRPF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.70
Rot. Bonds6

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

2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 113424250) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID113424250
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
SMILESCNc1cncc(NC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C13H22N4O/c1-9(2)6-16-13(18)10(3)17-12-5-11(14-4)7-15-8-12/h5,7-10,14,17H,6H2,1-4H3,(H,16,18)
InChIKeyKHBRGDHXJGNRPF-UHFFFAOYSA-N
XLogP1.70
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
N-(2-methylpropyl)-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644485
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802727
5-N-[1-(dimethylamino)propan-2-yl]-3-N-methylpyridine-3,5-diamine
CID 104535616
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
N-(2-methylpropyl)-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106972989
N-(2-methylpropyl)-2-(2,4,5-trifluoroanilino)propanamide
CID 55118207

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide (CID 113424250) is 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide is CNc1cncc(NC(C)C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is KHBRGDHXJGNRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)6-16-13(18)10(3)17-12-5-11(14-4)7-15-8-12/h5,7-10,14,17H,6H2,1-4H3,(H,16,18).
What are the key properties of 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113424250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).