4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C20H25N5O2 — CID 124680303

IUPAC4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCN1CCCC[C@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1
InChIInChI=1S/C20H25N5O2/c1-24-10-3-2-4-17(24)20(27)25-11-9-15-16(12-25)23-19(22-15)14-7-5-13(6-8-14)18(21)26/h5-8,17H,2-4,9-12H2,1H3,(H2,21,26)(H,22,23)/t17-/m0/s1
InChIKeyYKVYYJBYYJFYNS-KRWDZBQOSA-N
MW367.45 g/mol
LogP1.54
Rot. Bonds3

About 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 124680303) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID124680303
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCN1CCCC[C@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1
InChIInChI=1S/C20H25N5O2/c1-24-10-3-2-4-17(24)20(27)25-11-9-15-16(12-25)23-19(22-15)14-7-5-13(6-8-14)18(21)26/h5-8,17H,2-4,9-12H2,1H3,(H2,21,26)(H,22,23)/t17-/m0/s1
InChIKeyYKVYYJBYYJFYNS-KRWDZBQOSA-N
XLogP1.54
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 124680303) is 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is CN1CCCC[C@H]1C(=O)N1CCc2nc(-c3ccc(C(N)=O)cc3)[nH]c2C1.
What is the InChIKey of 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is YKVYYJBYYJFYNS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24-10-3-2-4-17(24)20(27)25-11-9-15-16(12-25)23-19(22-15)14-7-5-13(6-8-14)18(21)26/h5-8,17H,2-4,9-12H2,1H3,(H2,21,26)(H,22,23)/t17-/m0/s1.
What are the key properties of 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 124680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).