N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C16H21N5O — CID 166287188

IUPACN-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N2CCC(CN(C)C(=O)c3ccc[nH]3)C2)nn1
InChIInChI=1S/C16H21N5O/c1-12-5-6-15(19-18-12)21-9-7-13(11-21)10-20(2)16(22)14-4-3-8-17-14/h3-6,8,13,17H,7,9-11H2,1-2H3
InChIKeyCXJPFYXRJPNYRT-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 166287188) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID166287188
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(N2CCC(CN(C)C(=O)c3ccc[nH]3)C2)nn1
InChIInChI=1S/C16H21N5O/c1-12-5-6-15(19-18-12)21-9-7-13(11-21)10-20(2)16(22)14-4-3-8-17-14/h3-6,8,13,17H,7,9-11H2,1-2H3
InChIKeyCXJPFYXRJPNYRT-UHFFFAOYSA-N
XLogP1.71
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 166287188) is N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is Cc1ccc(N2CCC(CN(C)C(=O)c3ccc[nH]3)C2)nn1.
What is the InChIKey of N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CXJPFYXRJPNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-5-6-15(19-18-12)21-9-7-13(11-21)10-20(2)16(22)14-4-3-8-17-14/h3-6,8,13,17H,7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166287188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).