N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide

C20H28N6O — CID 138048923

IUPACN-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCc1cc(N2CCC([C@@H](C)NC(=O)c3ccnc(C)n3)CC2)nc(C)n1
InChIInChI=1S/C20H28N6O/c1-5-17-12-19(25-15(4)23-17)26-10-7-16(8-11-26)13(2)22-20(27)18-6-9-21-14(3)24-18/h6,9,12-13,16H,5,7-8,10-11H2,1-4H3,(H,22,27)/t13-/m1/s1
InChIKeyVGSMOEJVNOINNM-CYBMUJFWSA-N
MW368.49 g/mol
LogP2.48
Rot. Bonds5

About N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide

N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 138048923) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID138048923
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCc1cc(N2CCC([C@@H](C)NC(=O)c3ccnc(C)n3)CC2)nc(C)n1
InChIInChI=1S/C20H28N6O/c1-5-17-12-19(25-15(4)23-17)26-10-7-16(8-11-26)13(2)22-20(27)18-6-9-21-14(3)24-18/h6,9,12-13,16H,5,7-8,10-11H2,1-4H3,(H,22,27)/t13-/m1/s1
InChIKeyVGSMOEJVNOINNM-CYBMUJFWSA-N
XLogP2.48
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide (CID 138048923) is N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide is CCc1cc(N2CCC([C@@H](C)NC(=O)c3ccnc(C)n3)CC2)nc(C)n1.
What is the InChIKey of N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is VGSMOEJVNOINNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H28N6O/c1-5-17-12-19(25-15(4)23-17)26-10-7-16(8-11-26)13(2)22-20(27)18-6-9-21-14(3)24-18/h6,9,12-13,16H,5,7-8,10-11H2,1-4H3,(H,22,27)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide?
N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 138048923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).