N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide

C12H18N4O3 — CID 60968024

IUPACN,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O3/c1-3-15(4-2)12(17)7-8-13-10-5-6-11(14-9-10)16(18)19/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyRUPBZXBMDNQNFK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.66
Rot. Bonds7

About N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide

N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide (PubChem CID 60968024) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
PubChem CID60968024
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
SMILESCCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C12H18N4O3/c1-3-15(4-2)12(17)7-8-13-10-5-6-11(14-9-10)16(18)19/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyRUPBZXBMDNQNFK-UHFFFAOYSA-N
XLogP1.66
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-(4-nitroanilino)propanamide
CID 60925954
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550
N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
N,N-diethyl-3-(5-fluoro-2-nitroanilino)propanamide
CID 62376068
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
2-methyl-2-[(6-nitro-3-pyridinyl)amino]butanoic acid
CID 79792047
6-nitro-N-(3-phenylpropyl)pyridin-3-amine
CID 60631720
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
4-[2-[(6-nitro-3-pyridinyl)amino]ethyl]benzoic acid
CID 43665841
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide (CID 60968024) is N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide is CCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide?
The InChIKey is RUPBZXBMDNQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-15(4-2)12(17)7-8-13-10-5-6-11(14-9-10)16(18)19/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide?
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide has a molecular weight of 266.30 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 60968024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).