N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide

C24H26N4O2 — CID 134369594

IUPACN-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)ccn1
InChIInChI=1S/C24H26N4O2/c1-30-23-13-20(9-10-25-23)24(29)28(14-17-7-8-17)15-18-4-2-5-19(12-18)21-16-27-11-3-6-22(27)26-21/h2,4-5,9-10,12-13,16-17H,3,6-8,11,14-15H2,1H3
InChIKeyOTONOFNXSMNLHM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.95
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide

N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide (PubChem CID 134369594) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide
PubChem CID134369594
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)ccn1
InChIInChI=1S/C24H26N4O2/c1-30-23-13-20(9-10-25-23)24(29)28(14-17-7-8-17)15-18-4-2-5-19(12-18)21-16-27-11-3-6-22(27)26-21/h2,4-5,9-10,12-13,16-17H,3,6-8,11,14-15H2,1H3
InChIKeyOTONOFNXSMNLHM-UHFFFAOYSA-N
XLogP3.95
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide (CID 134369594) is N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)N(Cc2cccc(-c3cn4c(n3)CCC4)c2)CC2CC2)ccn1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is OTONOFNXSMNLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-23-13-20(9-10-25-23)24(29)28(14-17-7-8-17)15-18-4-2-5-19(12-18)21-16-27-11-3-6-22(27)26-21/h2,4-5,9-10,12-13,16-17H,3,6-8,11,14-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide?
N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 134369594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).