2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide

C19H22N4O4 — CID 133464882

IUPAC2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCOc1cccc(CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-4-2-3-14(10-16)9-13-5-7-22(8-6-13)19-17(18(20)24)11-15(12-21-19)23(25)26/h2-4,10-13H,5-9H2,1H3,(H2,20,24)
InChIKeyUZMPABSANANKGO-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide

2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide (PubChem CID 133464882) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
PubChem CID133464882
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
SMILESCOc1cccc(CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-4-2-3-14(10-16)9-13-5-7-22(8-6-13)19-17(18(20)24)11-15(12-21-19)23(25)26/h2-4,10-13H,5-9H2,1H3,(H2,20,24)
InChIKeyUZMPABSANANKGO-UHFFFAOYSA-N
XLogP2.56
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
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

2-[4-(3-methoxyphenyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133279381
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
5-nitro-2-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133326344
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
[5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133464886
2-(4-ethylpiperidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 76935223
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxamide
CID 95974485
2-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280156
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide (CID 133464882) is 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide is COc1cccc(CC2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
The InChIKey is UZMPABSANANKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-16-4-2-3-14(10-16)9-13-5-7-22(8-6-13)19-17(18(20)24)11-15(12-21-19)23(25)26/h2-4,10-13H,5-9H2,1H3,(H2,20,24).
What are the key properties of 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide?
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133464882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).