1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide

C14H23N5O — CID 103197016

IUPAC1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCCNCc1cnc(N2CCCC(C(=O)NC)C2)nc1
InChIInChI=1S/C14H23N5O/c1-3-16-7-11-8-17-14(18-9-11)19-6-4-5-12(10-19)13(20)15-2/h8-9,12,16H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyCMORZVBFZWSAOB-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.55
Rot. Bonds5

About 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide

1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide (PubChem CID 103197016) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
PubChem CID103197016
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
SMILESCCNCc1cnc(N2CCCC(C(=O)NC)C2)nc1
InChIInChI=1S/C14H23N5O/c1-3-16-7-11-8-17-14(18-9-11)19-6-4-5-12(10-19)13(20)15-2/h8-9,12,16H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyCMORZVBFZWSAOB-UHFFFAOYSA-N
XLogP0.55
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
1-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103194591
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-methyl-1-(2-piperidin-1-ylpyrimidin-5-yl)methanamine
CID 62756397
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
1-[2,6-difluoro-4-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196736
1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide (CID 103197016) is 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide is CCNCc1cnc(N2CCCC(C(=O)NC)C2)nc1.
What is the InChIKey of 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
The InChIKey is CMORZVBFZWSAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-16-7-11-8-17-14(18-9-11)19-6-4-5-12(10-19)13(20)15-2/h8-9,12,16H,3-7,10H2,1-2H3,(H,15,20).
What are the key properties of 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide?
1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).