1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide

C22H25N5O3 — CID 25197056

IUPAC1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(N)=O)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C22H25N5O3/c1-13-8-15(11-24-22(13)27-6-4-14(5-7-27)21(23)28)17-12-25-26-18-10-20(30-3)19(29-2)9-16(17)18/h8-12,14H,4-7H2,1-3H3,(H2,23,28)
InChIKeyUIVUANSBFNGTMC-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.72
Rot. Bonds5

About 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide

1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 25197056) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide
PubChem CID25197056
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1cc2nncc(-c3cnc(N4CCC(C(N)=O)CC4)c(C)c3)c2cc1OC
InChIInChI=1S/C22H25N5O3/c1-13-8-15(11-24-22(13)27-6-4-14(5-7-27)21(23)28)17-12-25-26-18-10-20(30-3)19(29-2)9-16(17)18/h8-12,14H,4-7H2,1-3H3,(H2,23,28)
InChIKeyUIVUANSBFNGTMC-UHFFFAOYSA-N
XLogP2.72
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide (CID 25197056) is 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide is COc1cc2nncc(-c3cnc(N4CCC(C(N)=O)CC4)c(C)c3)c2cc1OC.
What is the InChIKey of 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is UIVUANSBFNGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-8-15(11-24-22(13)27-6-4-14(5-7-27)21(23)28)17-12-25-26-18-10-20(30-3)19(29-2)9-16(17)18/h8-12,14H,4-7H2,1-3H3,(H2,23,28).
What are the key properties of 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide?
1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dimethoxycinnolin-4-yl)-3-methyl-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 25197056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).