2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide

C15H23N5O3 — CID 133491788

IUPAC2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
SMILESCN(C)CC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCC1
InChIInChI=1S/C15H23N5O3/c1-19(2)10-15(5-3-4-6-15)9-18-14-12(13(16)21)7-11(8-17-14)20(22)23/h7-8H,3-6,9-10H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyXQEPTZDRVQFSEW-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.62
Rot. Bonds7

About 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide

2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide (PubChem CID 133491788) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
PubChem CID133491788
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
SMILESCN(C)CC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCC1
InChIInChI=1S/C15H23N5O3/c1-19(2)10-15(5-3-4-6-15)9-18-14-12(13(16)21)7-11(8-17-14)20(22)23/h7-8H,3-6,9-10H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyXQEPTZDRVQFSEW-UHFFFAOYSA-N
XLogP1.62
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
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

5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
1-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433261

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide (CID 133491788) is 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide is CN(C)CC1(CNc2ncc([N+](=O)[O-])cc2C(N)=O)CCCC1.
What is the InChIKey of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide?
The InChIKey is XQEPTZDRVQFSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-19(2)10-15(5-3-4-6-15)9-18-14-12(13(16)21)7-11(8-17-14)20(22)23/h7-8H,3-6,9-10H2,1-2H3,(H2,16,21)(H,17,18).
What are the key properties of 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide?
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133491788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).