1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

C22H25N3O2 — CID 53159824

IUPAC1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-25-15-19(18-9-11-23-12-10-18)13-21(25)22(26)24-14-17-5-7-20(8-6-17)27-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,26)
InChIKeyICIVKGVFFYNMSK-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.29
Rot. Bonds7

About 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide

1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (PubChem CID 53159824) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
PubChem CID53159824
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide
SMILESCCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-4-25-15-19(18-9-11-23-12-10-18)13-21(25)22(26)24-14-17-5-7-20(8-6-17)27-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,26)
InChIKeyICIVKGVFFYNMSK-UHFFFAOYSA-N
XLogP4.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71840926
N-(1,3-benzodioxol-5-ylmethyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159839
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
N-(4-methoxyphenyl)-1-propyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159829
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[2-methyl-6-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]pyridine-4-carboxamide
CID 47074877
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
1-[(4-methylphenyl)methyl]-4-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 71840976
1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide
CID 20964832

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide (CID 53159824) is 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is CCn1cc(-c2ccncc2)cc1C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
The InChIKey is ICIVKGVFFYNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-25-15-19(18-9-11-23-12-10-18)13-21(25)22(26)24-14-17-5-7-20(8-6-17)27-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,26).
What are the key properties of 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide?
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]-4-pyridin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 53159824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).