N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C16H26N4O — CID 95211930

IUPACN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCC[C@H]2CCCN(C)C2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)15-17-9-7-14(19-15)16(21)18-8-6-13-5-4-10-20(3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyZKWUAKSHBISGPA-CYBMUJFWSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 95211930) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID95211930
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)NCC[C@H]2CCCN(C)C2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)15-17-9-7-14(19-15)16(21)18-8-6-13-5-4-10-20(3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyZKWUAKSHBISGPA-CYBMUJFWSA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 95211930) is N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)NCC[C@H]2CCCN(C)C2)n1.
What is the InChIKey of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZKWUAKSHBISGPA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)15-17-9-7-14(19-15)16(21)18-8-6-13-5-4-10-20(3)11-13/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 95211930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).