4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide

C29H38N10O2 — CID 145201308

IUPAC4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESCN1CCN(c2ncc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cn2)CC1.NC(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H27N9O.C10H11NO/c1-26-7-9-28(10-8-26)19-22-11-14(12-23-19)24-18-16(17(20)29)21-13-15(25-18)27-5-3-2-4-6-27;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h11-13H,2-10H2,1H3,(H2,20,29)(H,24,25);3-7H,1-2H2,(H2,11,12)
InChIKeyZXSBPDYANIYOOW-UHFFFAOYSA-N
MW558.69 g/mol
LogP2.51
Rot. Bonds7

About 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide

4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (PubChem CID 145201308) has the molecular formula C29H38N10O2 and a molecular weight of 558.69 g/mol. Its IUPAC name is 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
PubChem CID145201308
Molecular FormulaC29H38N10O2
Molecular Weight558.69 g/mol
Exact Mass558.32
IUPAC Name4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide
SMILESCN1CCN(c2ncc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cn2)CC1.NC(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C19H27N9O.C10H11NO/c1-26-7-9-28(10-8-26)19-22-11-14(12-23-19)24-18-16(17(20)29)21-13-15(25-18)27-5-3-2-4-6-27;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h11-13H,2-10H2,1H3,(H2,20,29)(H,24,25);3-7H,1-2H2,(H2,11,12)
InChIKeyZXSBPDYANIYOOW-UHFFFAOYSA-N
XLogP2.51
TPSA159.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.69
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

ethane;4-ethoxybenzamide;3-[4-(1-methylpiperidin-4-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 144857937
3-chloro-4-cyclopropylbenzamide;3-[4-(4-methylpiperazin-1-yl)anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201115
5-[3-(cyclooctanecarbonylamino)piperidin-1-yl]-3-[4-(1-methylpiperidin-4-yl)anilino]pyrazine-2-carboxamide
CID 123635494
5-cyclopropyl-N-methylpyridine-2-carboxamide;3-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201080
3-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156525
3-[4-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]anilino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 129156495
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]-3-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 146835383
5-[(3R)-3-[(4-cyclopropylbenzoyl)amino]piperidin-1-yl]-3-[2-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 145200985
4-(diethylamino)benzamide;3-[(1-methylpyrazol-4-yl)amino]-5-piperidin-1-ylpyrazine-2-carboxamide
CID 145201182
3-(4-cyclohexylanilino)-5-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 118115170
5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 118114831
5-[3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[4-(4-methylpiperazin-1-yl)anilino]pyrazine-2-carboxamide
CID 118115154

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The IUPAC name of 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide (CID 145201308) is 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide.
What is the SMILES notation for 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The canonical SMILES for 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is CN1CCN(c2ncc(Nc3nc(N4CCCCC4)cnc3C(N)=O)cn2)CC1.NC(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
The InChIKey is ZXSBPDYANIYOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N9O.C10H11NO/c1-26-7-9-28(10-8-26)19-22-11-14(12-23-19)24-18-16(17(20)29)21-13-15(25-18)27-5-3-2-4-6-27;11-10(12)9-5-3-8(4-6-9)7-1-2-7/h11-13H,2-10H2,1H3,(H2,20,29)(H,24,25);3-7H,1-2H2,(H2,11,12).
What are the key properties of 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide?
4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide has a molecular weight of 558.69 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylbenzamide;3-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]amino]-5-piperidin-1-ylpyrazine-2-carboxamide is sourced from PubChem (CID 145201308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).