N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide

C19H23N5O5 — CID 166401373

IUPACN-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N5O5/c1-12(22-17(25)14-9-15(24(28)29)18(26)21-11-14)10-20-19(27)16(23(2)3)13-7-5-4-6-8-13/h4-9,11-12,16H,10H2,1-3H3,(H,20,27)(H,21,26)(H,22,25)
InChIKeyQYJSMJXGQPMJTP-UHFFFAOYSA-N
MW401.42 g/mol
LogP0.82
Rot. Bonds8

About N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide

N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 166401373) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID166401373
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H23N5O5/c1-12(22-17(25)14-9-15(24(28)29)18(26)21-11-14)10-20-19(27)16(23(2)3)13-7-5-4-6-8-13/h4-9,11-12,16H,10H2,1-3H3,(H,20,27)(H,21,26)(H,22,25)
InChIKeyQYJSMJXGQPMJTP-UHFFFAOYSA-N
XLogP0.82
TPSA137.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.82
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

(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
N-[[4-(difluoromethyl)phenyl]methyl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide
CID 99840421
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
4-nitro-N-[(2S)-2-[(4-nitrobenzoyl)amino]propyl]benzamide
CID 7040519
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624517
4-chloro-3-nitro-N-[(1R)-1-phenylethyl]benzamide
CID 721213
N-[(2R)-2-(ethylamino)propyl]-2-[ethyl(methyl)amino]-2-phenylacetamide;dihydrochloride
CID 120654368

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide (CID 166401373) is N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide is CC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QYJSMJXGQPMJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-12(22-17(25)14-9-15(24(28)29)18(26)21-11-14)10-20-19(27)16(23(2)3)13-7-5-4-6-8-13/h4-9,11-12,16H,10H2,1-3H3,(H,20,27)(H,21,26)(H,22,25).
What are the key properties of N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide?
N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]propan-2-yl]-5-nitro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166401373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).