5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide

C32H42N8O3 — CID 145201080

IUPAC5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESCN1CCC(Oc2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1.CNC(=O)c1ccc(C2CC2)cn1
InChIInChI=1S/C22H30N6O2.C10H12N2O/c1-27-13-9-18(10-14-27)30-17-7-5-16(6-8-17)25-22-20(21(23)29)24-15-19(26-22)28-11-3-2-4-12-28;1-11-10(13)9-5-4-8(6-12-9)7-2-3-7/h5-8,15,18H,2-4,9-14H2,1H3,(H2,23,29)(H,25,26);4-7H,2-3H2,1H3,(H,11,13)
InChIKeyJVCBNSBGKWNQEK-UHFFFAOYSA-N
MW586.74 g/mol
LogP4.10
Rot. Bonds8

About 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide

5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 145201080) has the molecular formula C32H42N8O3 and a molecular weight of 586.74 g/mol. Its IUPAC name is 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID145201080
Molecular FormulaC32H42N8O3
Molecular Weight586.74 g/mol
Exact Mass586.34
IUPAC Name5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESCN1CCC(Oc2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1.CNC(=O)c1ccc(C2CC2)cn1
InChIInChI=1S/C22H30N6O2.C10H12N2O/c1-27-13-9-18(10-14-27)30-17-7-5-16(6-8-17)25-22-20(21(23)29)24-15-19(26-22)28-11-3-2-4-12-28;1-11-10(13)9-5-4-8(6-12-9)7-2-3-7/h5-8,15,18H,2-4,9-14H2,1H3,(H2,23,29)(H,25,26);4-7H,2-3H2,1H3,(H,11,13)
InChIKeyJVCBNSBGKWNQEK-UHFFFAOYSA-N
XLogP4.10
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.74
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201308
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
3-chloro-4-cyclopropylbenzamide;3-[4-(4-methylpiperazin-1-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201115
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-[4-[2-(dimethylamino)ethoxy]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide;4-methoxy-N-methylbenzamide
CID 144858094
3-[4-(1-cyclopentylpiperidin-4-yl)oxyanilino]-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 145201117
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-[(3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrazine-2-carboxamide
CID 145201258
5-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]-3-[4-(1-cyclopropylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 129156598
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
CID 146485007

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 145201080) is 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide is CN1CCC(Oc2ccc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cc2)CC1.CNC(=O)c1ccc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is JVCBNSBGKWNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2.C10H12N2O/c1-27-13-9-18(10-14-27)30-17-7-5-16(6-8-17)25-22-20(21(23)29)24-15-19(26-22)28-11-3-2-4-12-28;1-11-10(13)9-5-4-8(6-12-9)7-2-3-7/h5-8,15,18H,2-4,9-14H2,1H3,(H2,23,29)(H,25,26);4-7H,2-3H2,1H3,(H,11,13).
What are the key properties of 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide?
5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 586.74 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 145201080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).