N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide

C18H22N4O2 — CID 142931161

IUPACN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3cc(C=O)c[nH]3)cc2)C1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-7-8-22(11-16)15-5-3-14(4-6-15)20-18(24)17-9-13(12-23)10-19-17/h3-6,9-10,12,16,19H,7-8,11H2,1-2H3,(H,20,24)
InChIKeyOAXROOWIAILZIL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.22
Rot. Bonds5

About N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide

N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide (PubChem CID 142931161) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide
PubChem CID142931161
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3cc(C=O)c[nH]3)cc2)C1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-7-8-22(11-16)15-5-3-14(4-6-15)20-18(24)17-9-13(12-23)10-19-17/h3-6,9-10,12,16,19H,7-8,11H2,1-2H3,(H,20,24)
InChIKeyOAXROOWIAILZIL-UHFFFAOYSA-N
XLogP2.22
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-5-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 142931412
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 142931733
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(6-methyl-4,5-dihydropyridazin-3-yl)oxy]benzamide
CID 90751752
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methyl-3-nitrophenyl)benzamide
CID 58964227
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58866968
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 58867127

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide (CID 142931161) is N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)c3cc(C=O)c[nH]3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide?
The InChIKey is OAXROOWIAILZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)16-7-8-22(11-16)15-5-3-14(4-6-15)20-18(24)17-9-13(12-23)10-19-17/h3-6,9-10,12,16,19H,7-8,11H2,1-2H3,(H,20,24).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide?
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-formyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142931161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).