N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide

C14H19N3O4 — CID 109400050

IUPACN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C14H19N3O4/c1-9-12(6-11(7-15-9)17(20)21)14(19)16(2)8-10-4-3-5-13(10)18/h6-7,10,13,18H,3-5,8H2,1-2H3
InChIKeyPAIBBHIEUBSISU-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.53
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide (PubChem CID 109400050) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
PubChem CID109400050
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C14H19N3O4/c1-9-12(6-11(7-15-9)17(20)21)14(19)16(2)8-10-4-3-5-13(10)18/h6-7,10,13,18H,3-5,8H2,1-2H3
InChIKeyPAIBBHIEUBSISU-UHFFFAOYSA-N
XLogP1.53
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide (CID 109400050) is N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC1CCCC1O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The InChIKey is PAIBBHIEUBSISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-12(6-11(7-15-9)17(20)21)14(19)16(2)8-10-4-3-5-13(10)18/h6-7,10,13,18H,3-5,8H2,1-2H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 109400050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).