N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide

C16H22N4O2 — CID 99828673

IUPACN-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc[nH]c1C)C(=O)c1cc[nH]c1C
InChIInChI=1S/C16H22N4O2/c1-4-20(16(22)14-6-8-18-12(14)3)10-9-19-15(21)13-5-7-17-11(13)2/h5-8,17-18H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyQYQHJPORXIBFED-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 99828673) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID99828673
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc[nH]c1C)C(=O)c1cc[nH]c1C
InChIInChI=1S/C16H22N4O2/c1-4-20(16(22)14-6-8-18-12(14)3)10-9-19-15(21)13-5-7-17-11(13)2/h5-8,17-18H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyQYQHJPORXIBFED-UHFFFAOYSA-N
XLogP1.85
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110695748
N-(cyanomethyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 130645768
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122556376
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
N-[2-(diethylamino)ethyl]-6-iodo-4-oxo-1H-quinoline-8-carboxamide
CID 66945735
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 99828673) is N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide is CCN(CCNC(=O)c1cc[nH]c1C)C(=O)c1cc[nH]c1C.
What is the InChIKey of N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is QYQHJPORXIBFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-20(16(22)14-6-8-18-12(14)3)10-9-19-15(21)13-5-7-17-11(13)2/h5-8,17-18H,4,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 99828673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).