N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

C21H26N6O2 — CID 50831420

IUPACN-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCn3c(C)nc4cccnc43)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-16-23-19-4-3-9-22-20(19)27(16)15-12-25-10-13-26(14-11-25)21(28)24-17-5-7-18(29-2)8-6-17/h3-9H,10-15H2,1-2H3,(H,24,28)
InChIKeyPSNVSKABPRVMPR-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.60
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 50831420) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID50831420
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCn3c(C)nc4cccnc43)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-16-23-19-4-3-9-22-20(19)27(16)15-12-25-10-13-26(14-11-25)21(28)24-17-5-7-18(29-2)8-6-17/h3-9H,10-15H2,1-2H3,(H,24,28)
InChIKeyPSNVSKABPRVMPR-UHFFFAOYSA-N
XLogP2.60
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831448
N-(4-bromo-3-methylphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831496
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
N-(2,4-dimethoxyphenyl)-4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389548
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
N-(furan-2-ylmethyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389445
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
4-[[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53120860
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 46389560
N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 50831420) is N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(CCn3c(C)nc4cccnc43)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is PSNVSKABPRVMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-16-23-19-4-3-9-22-20(19)27(16)15-12-25-10-13-26(14-11-25)21(28)24-17-5-7-18(29-2)8-6-17/h3-9H,10-15H2,1-2H3,(H,24,28).
What are the key properties of N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 50831420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).