4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide

C19H29N7O — CID 118779305

IUPAC4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(c3ccnc(N)n3)CC2)n(CCC(C)C)n1
InChIInChI=1S/C19H29N7O/c1-13(2)5-11-26-17(12-14(3)24-26)23-19(27)25-9-6-15(7-10-25)16-4-8-21-18(20)22-16/h4,8,12-13,15H,5-7,9-11H2,1-3H3,(H,23,27)(H2,20,21,22)
InChIKeyJVPUWBVJPGZWSO-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.02
Rot. Bonds5

About 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide

4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 118779305) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID118779305
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(c3ccnc(N)n3)CC2)n(CCC(C)C)n1
InChIInChI=1S/C19H29N7O/c1-13(2)5-11-26-17(12-14(3)24-26)23-19(27)25-9-6-15(7-10-25)16-4-8-21-18(20)22-16/h4,8,12-13,15H,5-7,9-11H2,1-3H3,(H,23,27)(H2,20,21,22)
InChIKeyJVPUWBVJPGZWSO-UHFFFAOYSA-N
XLogP3.02
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 118779305) is 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(c3ccnc(N)n3)CC2)n(CCC(C)C)n1.
What is the InChIKey of 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is JVPUWBVJPGZWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-13(2)5-11-26-17(12-14(3)24-26)23-19(27)25-9-6-15(7-10-25)16-4-8-21-18(20)22-16/h4,8,12-13,15H,5-7,9-11H2,1-3H3,(H,23,27)(H2,20,21,22).
What are the key properties of 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide?
4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-4-yl)-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 118779305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).