N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide

C14H20N4O3 — CID 106628723

IUPACN-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc([N+](=O)[O-])c[nH]1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H20N4O3/c19-14(13-6-12(8-16-13)18(20)21)17(11-3-4-11)9-10-2-1-5-15-7-10/h6,8,10-11,15-16H,1-5,7,9H2
InChIKeyBRYTYPDJVPIOPT-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.53
Rot. Bonds5

About N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide

N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 106628723) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID106628723
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc([N+](=O)[O-])c[nH]1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C14H20N4O3/c19-14(13-6-12(8-16-13)18(20)21)17(11-3-4-11)9-10-2-1-5-15-7-10/h6,8,10-11,15-16H,1-5,7,9H2
InChIKeyBRYTYPDJVPIOPT-UHFFFAOYSA-N
XLogP1.53
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4-nitro-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79716251
3,5-dichloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628660
4-nitro-N-(piperidin-4-ylmethyl)-N-propyl-1H-pyrrole-2-carboxamide
CID 79702373
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-[cyclopentylmethyl(methyl)amino]-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 63632659
N-cyclopropyl-5-(methoxymethyl)-N-(piperidin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106628709
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
5-bromo-2-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628689
2-fluoro-4-nitro-6-(piperidin-3-ylmethyl)phenol
CID 117388704
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
4-bromo-N-cyclopropyl-1-methyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106628800
4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 106628723) is N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc([N+](=O)[O-])c[nH]1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BRYTYPDJVPIOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-14(13-6-12(8-16-13)18(20)21)17(11-3-4-11)9-10-2-1-5-15-7-10/h6,8,10-11,15-16H,1-5,7,9H2.
What are the key properties of N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide?
N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-nitro-N-(piperidin-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106628723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).