1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide

C15H25N5O — CID 50958308

IUPAC1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide
SMILESCCc1cnc(C)nc1NCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H25N5O/c1-3-12-9-18-11(2)19-15(12)17-6-8-20-7-4-5-13(10-20)14(16)21/h9,13H,3-8,10H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyNUHZNHQJZPGNOJ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.96
Rot. Bonds6

About 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide

1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide (PubChem CID 50958308) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide
PubChem CID50958308
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide
SMILESCCc1cnc(C)nc1NCCN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H25N5O/c1-3-12-9-18-11(2)19-15(12)17-6-8-20-7-4-5-13(10-20)14(16)21/h9,13H,3-8,10H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyNUHZNHQJZPGNOJ-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide (CID 50958308) is 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide is CCc1cnc(C)nc1NCCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide?
The InChIKey is NUHZNHQJZPGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-3-12-9-18-11(2)19-15(12)17-6-8-20-7-4-5-13(10-20)14(16)21/h9,13H,3-8,10H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide?
1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50958308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).