4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide

C21H34N6O2 — CID 97415376

IUPAC4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOCCN(C)c1nc(C2CCN(C(=O)N(C)C)CC2)cc2c1ncn2C(C)C
InChIInChI=1S/C21H34N6O2/c1-15(2)27-14-22-19-18(27)13-17(23-20(19)25(5)11-12-29-6)16-7-9-26(10-8-16)21(28)24(3)4/h13-16H,7-12H2,1-6H3
InChIKeyFKMIVYOGDMQIKU-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.96
Rot. Bonds6

About 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 97415376) has the molecular formula C21H34N6O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID97415376
Molecular FormulaC21H34N6O2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCOCCN(C)c1nc(C2CCN(C(=O)N(C)C)CC2)cc2c1ncn2C(C)C
InChIInChI=1S/C21H34N6O2/c1-15(2)27-14-22-19-18(27)13-17(23-20(19)25(5)11-12-29-6)16-7-9-26(10-8-16)21(28)24(3)4/h13-16H,7-12H2,1-6H3
InChIKeyFKMIVYOGDMQIKU-UHFFFAOYSA-N
XLogP2.96
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 97415376) is 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide is COCCN(C)c1nc(C2CCN(C(=O)N(C)C)CC2)cc2c1ncn2C(C)C.
What is the InChIKey of 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is FKMIVYOGDMQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6O2/c1-15(2)27-14-22-19-18(27)13-17(23-20(19)25(5)11-12-29-6)16-7-9-26(10-8-16)21(28)24(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methoxyethyl(methyl)amino]-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 97415376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).