2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone

C22H27N5O — CID 10691006

IUPAC2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(C)c2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-17-24-20-14-23-11-8-21(20)27(17)15-18-9-12-26(13-10-18)22(28)16-25(2)19-6-4-3-5-7-19/h3-8,11,14,18H,9-10,12-13,15-16H2,1-2H3
InChIKeyAXDFFDYJNCWPAV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.11
Rot. Bonds5

About 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone

2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 10691006) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID10691006
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(C)c2ccccc2)CC1
InChIInChI=1S/C22H27N5O/c1-17-24-20-14-23-11-8-21(20)27(17)15-18-9-12-26(13-10-18)22(28)16-25(2)19-6-4-3-5-7-19/h3-8,11,14,18H,9-10,12-13,15-16H2,1-2H3
InChIKeyAXDFFDYJNCWPAV-UHFFFAOYSA-N
XLogP3.11
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone (CID 10691006) is 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is Cc1nc2cnccc2n1CC1CCN(C(=O)CN(C)c2ccccc2)CC1.
What is the InChIKey of 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is AXDFFDYJNCWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-24-20-14-23-11-8-21(20)27(17)15-18-9-12-26(13-10-18)22(28)16-25(2)19-6-4-3-5-7-19/h3-8,11,14,18H,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone?
2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 10691006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).