N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C21H24N4O2 — CID 78876055

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(C)n(Cc3ccccn3)c2C)ccn1
InChIInChI=1S/C21H24N4O2/c1-4-27-20-12-17(8-10-23-20)13-24-21(26)19-11-15(2)25(16(19)3)14-18-7-5-6-9-22-18/h5-12H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyZQQQPKCIMDULPM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.27
Rot. Bonds7

About N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78876055) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID78876055
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(C)n(Cc3ccccn3)c2C)ccn1
InChIInChI=1S/C21H24N4O2/c1-4-27-20-12-17(8-10-23-20)13-24-21(26)19-11-15(2)25(16(19)3)14-18-7-5-6-9-22-18/h5-12H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyZQQQPKCIMDULPM-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86820807
N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39887261
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
1-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967624
N-(1,2-diphenylethyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 43073082
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
(2S)-2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]hexanoic acid
CID 120614143
N-[3-(diethylaminomethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78865014

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 78876055) is N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is CCOc1cc(CNC(=O)c2cc(C)n(Cc3ccccn3)c2C)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is ZQQQPKCIMDULPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-27-20-12-17(8-10-23-20)13-24-21(26)19-11-15(2)25(16(19)3)14-18-7-5-6-9-22-18/h5-12H,4,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78876055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).