N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide

C15H26N4O — CID 104535849

IUPACN,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
SMILESCCCNc1cncc(NCCC(=O)N(CC)CC)c1
InChIInChI=1S/C15H26N4O/c1-4-8-17-13-10-14(12-16-11-13)18-9-7-15(20)19(5-2)6-3/h10-12,17-18H,4-9H2,1-3H3
InChIKeyWJPHEABHYOVKKR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds9

About N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide

N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide (PubChem CID 104535849) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
PubChem CID104535849
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
SMILESCCCNc1cncc(NCCC(=O)N(CC)CC)c1
InChIInChI=1S/C15H26N4O/c1-4-8-17-13-10-14(12-16-11-13)18-9-7-15(20)19(5-2)6-3/h10-12,17-18H,4-9H2,1-3H3
InChIKeyWJPHEABHYOVKKR-UHFFFAOYSA-N
XLogP2.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
CID 115657144
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
N,N-diethyl-3-[(5-methylpyridazin-3-yl)amino]propanamide
CID 106549555

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide (CID 104535849) is N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide is CCCNc1cncc(NCCC(=O)N(CC)CC)c1.
What is the InChIKey of N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
The InChIKey is WJPHEABHYOVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-17-13-10-14(12-16-11-13)18-9-7-15(20)19(5-2)6-3/h10-12,17-18H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide?
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 104535849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).