1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide

C21H27N7O2 — CID 100685607

IUPAC1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2)o1
InChIInChI=1S/C21H27N7O2/c1-15-24-18(13-22)21(30-15)28-7-5-16(6-8-28)20(29)25-17-3-4-19(23-14-17)27-11-9-26(2)10-12-27/h3-4,14,16H,5-12H2,1-2H3,(H,25,29)
InChIKeyYDKLJTLBPXPGTF-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide

1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 100685607) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
PubChem CID100685607
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2)o1
InChIInChI=1S/C21H27N7O2/c1-15-24-18(13-22)21(30-15)28-7-5-16(6-8-28)20(29)25-17-3-4-19(23-14-17)27-11-9-26(2)10-12-27/h3-4,14,16H,5-12H2,1-2H3,(H,25,29)
InChIKeyYDKLJTLBPXPGTF-UHFFFAOYSA-N
XLogP1.86
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 99792433
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]piperidine-4-carboxamide
CID 99792714
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
(3R)-1-(4-methylphenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 37334600
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide (CID 100685607) is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide is Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)CC2)o1.
What is the InChIKey of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YDKLJTLBPXPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-15-24-18(13-22)21(30-15)28-7-5-16(6-8-28)20(29)25-17-3-4-19(23-14-17)27-11-9-26(2)10-12-27/h3-4,14,16H,5-12H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide?
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 100685607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).