3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide

C15H15Cl2N5O3 — CID 66934224

IUPAC3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide
SMILESNC(=O)CCNc1nc(NCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15Cl2N5O3/c16-10-2-1-9(7-11(10)17)8-20-14-4-3-12(22(24)25)15(21-14)19-6-5-13(18)23/h1-4,7H,5-6,8H2,(H2,18,23)(H2,19,20,21)
InChIKeyZCHJMWBKKFSZCY-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.20
Rot. Bonds8

About 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide

3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide (PubChem CID 66934224) has the molecular formula C15H15Cl2N5O3 and a molecular weight of 384.22 g/mol. Its IUPAC name is 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide
PubChem CID66934224
Molecular FormulaC15H15Cl2N5O3
Molecular Weight384.22 g/mol
Exact Mass383.06
IUPAC Name3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide
SMILESNC(=O)CCNc1nc(NCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H15Cl2N5O3/c16-10-2-1-9(7-11(10)17)8-20-14-4-3-12(22(24)25)15(21-14)19-6-5-13(18)23/h1-4,7H,5-6,8H2,(H2,18,23)(H2,19,20,21)
InChIKeyZCHJMWBKKFSZCY-UHFFFAOYSA-N
XLogP3.20
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]butanoic acid
CID 66934353
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80919615
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
N-[2-[[6-[(4-fluorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66934455
N-[2-[[6-[(3-bromophenyl)methylamino]-3-nitro-2-pyridinyl]amino]ethyl]acetamide
CID 66838435
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
4-chloro-N-[(3,4-dichlorophenyl)methyl]-3-nitroaniline
CID 22217217
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide?
The IUPAC name of 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide (CID 66934224) is 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide.
What is the SMILES notation for 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide?
The canonical SMILES for 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide is NC(=O)CCNc1nc(NCc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide?
The InChIKey is ZCHJMWBKKFSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O3/c16-10-2-1-9(7-11(10)17)8-20-14-4-3-12(22(24)25)15(21-14)19-6-5-13(18)23/h1-4,7H,5-6,8H2,(H2,18,23)(H2,19,20,21).
What are the key properties of 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide?
3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide has a molecular weight of 384.22 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 66934224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).