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

C15H26N4O — CID 104535813

IUPACN-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
SMILESCCCNc1cncc(NC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H26N4O/c1-5-6-17-13-7-14(10-16-9-13)19-12(4)15(20)18-8-11(2)3/h7,9-12,17,19H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyDKRYGOQFXJINJP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds8

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

N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide (PubChem CID 104535813) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
PubChem CID104535813
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
SMILESCCCNc1cncc(NC(C)C(=O)NCC(C)C)c1
InChIInChI=1S/C15H26N4O/c1-5-6-17-13-7-14(10-16-9-13)19-12(4)15(20)18-8-11(2)3/h7,9-12,17,19H,5-6,8H2,1-4H3,(H,18,20)
InChIKeyDKRYGOQFXJINJP-UHFFFAOYSA-N
XLogP2.48
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(methylamino)-3-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 113424250
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
N-ethyl-2-[3-nitro-5-(propylamino)anilino]propanamide
CID 80783432
2-(3,5-dimethylanilino)-N-propylpropanamide
CID 43087041
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The IUPAC name of N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide (CID 104535813) is N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide is CCCNc1cncc(NC(C)C(=O)NCC(C)C)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The InChIKey is DKRYGOQFXJINJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-6-17-13-7-14(10-16-9-13)19-12(4)15(20)18-8-11(2)3/h7,9-12,17,19H,5-6,8H2,1-4H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 104535813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).