N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide

C14H22N4O3 — CID 106995308

IUPACN-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H22N4O3/c1-3-6-17-9-12(18(20)21)8-13(17)14(19)16-11-4-5-15-10(2)7-11/h8-11,15H,3-7H2,1-2H3,(H,16,19)
InChIKeyQEWZBXLFPZHXIC-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.68
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide

N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide (PubChem CID 106995308) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
PubChem CID106995308
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H22N4O3/c1-3-6-17-9-12(18(20)21)8-13(17)14(19)16-11-4-5-15-10(2)7-11/h8-11,15H,3-7H2,1-2H3,(H,16,19)
InChIKeyQEWZBXLFPZHXIC-UHFFFAOYSA-N
XLogP1.68
TPSA89.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.68
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

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-4-nitropyrrole-2-carboxamide
CID 61237906
1-methyl-N-(2-methylpiperidin-4-yl)-5-nitropyrrole-2-carboxamide;hydrochloride
CID 120600064
1-ethyl-N-(4-hydroxycyclohexyl)-4-nitropyrrole-2-carboxamide
CID 43639717
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
[(2R)-2-methylpiperazin-1-yl]-(4-nitro-1-propylpyrrol-2-yl)methanone
CID 82756049
N-(1-amino-2-methylpropan-2-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 63193894
N-(3-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 64912418
N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 115323770
N-(2-ethyl-2-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 65112364
N-methyl-4-nitro-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106607667
2-methyl-N-(2-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 106995091
(2S)-3-hydroxy-2-[(4-nitro-1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 61153534

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide (CID 106995308) is N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide is CCCn1cc([N+](=O)[O-])cc1C(=O)NC1CCNC(C)C1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide?
The InChIKey is QEWZBXLFPZHXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-6-17-9-12(18(20)21)8-13(17)14(19)16-11-4-5-15-10(2)7-11/h8-11,15H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide?
N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106995308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).