5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide

C20H21N5O — CID 175838933

IUPAC5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
SMILESCN1CCC(c2ccc(C(N)=O)c3nnc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O/c1-25-10-7-13(8-11-25)14-5-6-15(20(21)26)19-16(14)12-18(23-24-19)17-4-2-3-9-22-17/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,21,26)
InChIKeyGPRXVFMPRSUHCY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.60
Rot. Bonds3

About 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide

5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide (PubChem CID 175838933) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
PubChem CID175838933
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
SMILESCN1CCC(c2ccc(C(N)=O)c3nnc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O/c1-25-10-7-13(8-11-25)14-5-6-15(20(21)26)19-16(14)12-18(23-24-19)17-4-2-3-9-22-17/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,21,26)
InChIKeyGPRXVFMPRSUHCY-UHFFFAOYSA-N
XLogP2.60
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide
CID 175839054
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 116904091
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
2-[(3S)-1-methylpyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
CID 51137868
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
CID 72721841
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
2-(1-aminopiperidin-4-yl)benzamide
CID 174916154
6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
CID 175798659

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide (CID 175838933) is 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide is CN1CCC(c2ccc(C(N)=O)c3nnc(-c4ccccn4)cc23)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide?
The InChIKey is GPRXVFMPRSUHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25-10-7-13(8-11-25)14-5-6-15(20(21)26)19-16(14)12-18(23-24-19)17-4-2-3-9-22-17/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,21,26).
What are the key properties of 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide?
5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide is sourced from PubChem (CID 175838933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).