6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide

C18H26N4O2 — CID 118739962

IUPAC6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)NCC3CC3)nc(C)n2)CC1
InChIInChI=1S/C18H26N4O2/c1-12-20-15(17(24)19-11-14-4-5-14)10-16(21-12)18(3)6-8-22(9-7-18)13(2)23/h10,14H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyZAYCUNROVLCMNK-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.82
Rot. Bonds4

About 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide

6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 118739962) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID118739962
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(C)(c2cc(C(=O)NCC3CC3)nc(C)n2)CC1
InChIInChI=1S/C18H26N4O2/c1-12-20-15(17(24)19-11-14-4-5-14)10-16(21-12)18(3)6-8-22(9-7-18)13(2)23/h10,14H,4-9,11H2,1-3H3,(H,19,24)
InChIKeyZAYCUNROVLCMNK-UHFFFAOYSA-N
XLogP1.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide (CID 118739962) is 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide is CC(=O)N1CCC(C)(c2cc(C(=O)NCC3CC3)nc(C)n2)CC1.
What is the InChIKey of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZAYCUNROVLCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-20-15(17(24)19-11-14-4-5-14)10-16(21-12)18(3)6-8-22(9-7-18)13(2)23/h10,14H,4-9,11H2,1-3H3,(H,19,24).
What are the key properties of 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide?
6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 118739962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).