4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

C20H25N5O2 — CID 126862787

IUPAC4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c21-20(27)18-12-16(5-8-22-18)24-9-6-14(7-10-24)13-25-19(26)11-15-3-1-2-4-17(15)23-25/h5,8,11-12,14H,1-4,6-7,9-10,13H2,(H2,21,27)
InChIKeyDZMVSXZVFCPRKF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.53
Rot. Bonds4

About 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide

4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 126862787) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
PubChem CID126862787
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c21-20(27)18-12-16(5-8-22-18)24-9-6-14(7-10-24)13-25-19(26)11-15-3-1-2-4-17(15)23-25/h5,8,11-12,14H,1-4,6-7,9-10,13H2,(H2,21,27)
InChIKeyDZMVSXZVFCPRKF-UHFFFAOYSA-N
XLogP1.53
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 126863928
2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865042
2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126855734
2-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865039
2-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126851787
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862666
2-[[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864694
2-[(1-cyclohexylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862802
2-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862870
N-cycloheptyl-4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]piperidine-1-carboxamide
CID 126864704
2-[[1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862715
4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
CID 75509698

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide (CID 126862787) is 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is NC(=O)c1cc(N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)ccn1.
What is the InChIKey of 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
The InChIKey is DZMVSXZVFCPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-20(27)18-12-16(5-8-22-18)24-9-6-14(7-10-24)13-25-19(26)11-15-3-1-2-4-17(15)23-25/h5,8,11-12,14H,1-4,6-7,9-10,13H2,(H2,21,27).
What are the key properties of 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide?
4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126862787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).