N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide

C14H18N4O — CID 82027109

IUPACN,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1c(NCc2ccncc2)ccn1C
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)13-12(6-9-18(13)3)16-10-11-4-7-15-8-5-11/h4-9,16H,10H2,1-3H3
InChIKeyMIQLQGRQQVENNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds4

About N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide

N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide (PubChem CID 82027109) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide
PubChem CID82027109
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1c(NCc2ccncc2)ccn1C
InChIInChI=1S/C14H18N4O/c1-17(2)14(19)13-12(6-9-18(13)3)16-10-11-4-7-15-8-5-11/h4-9,16H,10H2,1-3H3
InChIKeyMIQLQGRQQVENNK-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide
CID 75380848
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide
CID 91071106
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
ethane;pyridin-4-ylmethylurea
CID 144877282
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 2123179
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide (CID 82027109) is N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide is CN(C)C(=O)c1c(NCc2ccncc2)ccn1C.
What is the InChIKey of N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide?
The InChIKey is MIQLQGRQQVENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)14(19)13-12(6-9-18(13)3)16-10-11-4-7-15-8-5-11/h4-9,16H,10H2,1-3H3.
What are the key properties of N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide?
N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide is sourced from PubChem (CID 82027109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).