1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

C14H21ClN4O — CID 63729313

IUPAC1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCCCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C14H21ClN4O/c1-3-4-11-12(15)17-8-18-14(11)19-7-10(13(16)20)6-5-9(19)2/h8-10H,3-7H2,1-2H3,(H2,16,20)
InChIKeyMPFFHKKAXJPTCR-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.17
Rot. Bonds4

About 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide

1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 63729313) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID63729313
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCCCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C14H21ClN4O/c1-3-4-11-12(15)17-8-18-14(11)19-7-10(13(16)20)6-5-9(19)2/h8-10H,3-7H2,1-2H3,(H2,16,20)
InChIKeyMPFFHKKAXJPTCR-UHFFFAOYSA-N
XLogP2.17
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide (CID 63729313) is 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is CCCc1c(Cl)ncnc1N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is MPFFHKKAXJPTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-3-4-11-12(15)17-8-18-14(11)19-7-10(13(16)20)6-5-9(19)2/h8-10H,3-7H2,1-2H3,(H2,16,20).
What are the key properties of 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide?
1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-propylpyrimidin-4-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63729313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).