N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide

C13H20N4O4 — CID 115323770

IUPACN-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H20N4O4/c1-2-4-16-9-10(17(19)20)6-12(16)13(18)15-8-11-7-14-3-5-21-11/h6,9,11,14H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyQRWCOANLTSHCQG-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.52
Rot. Bonds6

About N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide

N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide (PubChem CID 115323770) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide
PubChem CID115323770
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC NameN-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc([N+](=O)[O-])cc1C(=O)NCC1CNCCO1
InChIInChI=1S/C13H20N4O4/c1-2-4-16-9-10(17(19)20)6-12(16)13(18)15-8-11-7-14-3-5-21-11/h6,9,11,14H,2-5,7-8H2,1H3,(H,15,18)
InChIKeyQRWCOANLTSHCQG-UHFFFAOYSA-N
XLogP0.52
TPSA98.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.52
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

3-chloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 115323738
2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 107192102
N-(2-ethyl-2-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 65112364
[(2R)-2-methylpiperazin-1-yl]-(4-nitro-1-propylpyrrol-2-yl)methanone
CID 82756049
N-(3-hydroxybutyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 64912418
1-ethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541107
N-(2-methylpiperidin-4-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 106995308
N-(1-amino-2-methylpropan-2-yl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 63193894
N-(4-iodophenyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 61400273
4-amino-1-methyl-N-(morpholin-2-ylmethyl)pyrazole-3-carboxamide
CID 122445315
1,5-dimethyl-N-[[(2R)-morpholin-2-yl]methyl]pyrazole-3-carboxamide
CID 143160987
N-(4-hydroxyphenyl)-4-nitro-1-propylpyrrole-2-carboxamide
CID 43639974

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide (CID 115323770) is N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide is CCCn1cc([N+](=O)[O-])cc1C(=O)NCC1CNCCO1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide?
The InChIKey is QRWCOANLTSHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-4-16-9-10(17(19)20)6-12(16)13(18)15-8-11-7-14-3-5-21-11/h6,9,11,14H,2-5,7-8H2,1H3,(H,15,18).
What are the key properties of N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide?
N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-4-nitro-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 115323770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).