N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide

C15H14N4O4 — CID 143934438

IUPACN-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide
SMILESNC(=O)CC(NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c16-14(20)9-12(10-5-1-2-7-13(10)19(22)23)18-15(21)11-6-3-4-8-17-11/h1-8,12H,9H2,(H2,16,20)(H,18,21)
InChIKeySSMKFOKCVFLNBQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.34
Rot. Bonds6

About N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide

N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide (PubChem CID 143934438) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide
PubChem CID143934438
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide
SMILESNC(=O)CC(NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c16-14(20)9-12(10-5-1-2-7-13(10)19(22)23)18-15(21)11-6-3-4-8-17-11/h1-8,12H,9H2,(H2,16,20)(H,18,21)
InChIKeySSMKFOKCVFLNBQ-UHFFFAOYSA-N
XLogP1.34
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
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

(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
CID 125467429
3-[(3-nitro-2-pyridinyl)amino]butanamide
CID 115647564
propan-2-yl 3-[(6-chloropyridine-3-carbonyl)amino]-3-(2-nitrophenyl)propanoate
CID 46697878
[2-acetamido-2-(2-nitrophenyl)ethyl] acetate
CID 53394519
(3R)-3-(2-nitrophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481064
propan-2-yl 3-[[4-(carbamoylamino)benzoyl]amino]-3-(2-nitrophenyl)propanoate
CID 43041638
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
sodium 3-(2-nitrophenyl)-3-[[2-[4-(pyridin-2-ylamino)butanoylamino]acetyl]amino]propanoate
CID 70010574
propan-2-yl 3-[(5-methylthiophene-2-carbonyl)amino]-3-(2-nitrophenyl)propanoate
CID 51257124
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
[3-nitro-2-[(pyridine-2-carbonylamino)methyl]phenyl] 2-methylpropanoate
CID 121225897
propan-2-yl 3-(2-nitrophenyl)-3-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 55758543

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide (CID 143934438) is N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide is NC(=O)CC(NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide?
The InChIKey is SSMKFOKCVFLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-14(20)9-12(10-5-1-2-7-13(10)19(22)23)18-15(21)11-6-3-4-8-17-11/h1-8,12H,9H2,(H2,16,20)(H,18,21).
What are the key properties of N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide?
N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 143934438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).