N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane

C40H56N8O4 — CID 158765595

IUPACN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane
SMILESC.C.CCOc1ccccc1-c1cc(NC(=O)C2CCN(CC)CC2)ncn1.CCOc1ccccc1-c1cc(NC(=O)C2CCNCC2)ncn1
InChIInChI=1S/C20H26N4O2.C18H22N4O2.2CH4/c1-3-24-11-9-15(10-12-24)20(25)23-19-13-17(21-14-22-19)16-7-5-6-8-18(16)26-4-2;1-2-24-16-6-4-3-5-14(16)15-11-17(21-12-20-15)22-18(23)13-7-9-19-10-8-13;;/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,22,23,25);3-6,11-13,19H,2,7-10H2,1H3,(H,20,21,22,23);2*1H4
InChIKeyIPFIEUFDYBERIP-UHFFFAOYSA-N
MW712.94 g/mol
LogP6.97
Rot. Bonds11

About N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane

N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane (PubChem CID 158765595) has the molecular formula C40H56N8O4 and a molecular weight of 712.94 g/mol. Its IUPAC name is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane.

Molecular Properties

Compound NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane
PubChem CID158765595
Molecular FormulaC40H56N8O4
Molecular Weight712.94 g/mol
Exact Mass712.44
IUPAC NameN-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane
SMILESC.C.CCOc1ccccc1-c1cc(NC(=O)C2CCN(CC)CC2)ncn1.CCOc1ccccc1-c1cc(NC(=O)C2CCNCC2)ncn1
InChIInChI=1S/C20H26N4O2.C18H22N4O2.2CH4/c1-3-24-11-9-15(10-12-24)20(25)23-19-13-17(21-14-22-19)16-7-5-6-8-18(16)26-4-2;1-2-24-16-6-4-3-5-14(16)15-11-17(21-12-20-15)22-18(23)13-7-9-19-10-8-13;;/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,22,23,25);3-6,11-13,19H,2,7-10H2,1H3,(H,20,21,22,23);2*1H4
InChIKeyIPFIEUFDYBERIP-UHFFFAOYSA-N
XLogP6.97
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane with MolForge

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Related Compounds

N-[6-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508963
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 59508975
6-Oxo-piperidine-3-carboxylic acid [6-(2-methoxy-phenyl)-pyrimidin-4-yl]-amide
CID 59508976
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide
CID 59509028
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 59509147
6-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3235546
N-(3-methyl-4-(1-methylpiperidin-4-yloxy)phenyl)-6-(3-morpholinopropoxy)quinazolin-4-amine
CID 44426277
4-[[[4-(Benzylamino)-6-(4-ethoxyphenyl)pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724813
6-(2-propan-2-yloxyphenyl)-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 155565097
(3R)-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N-methylpiperidine-3-carboxamide
CID 59509012
N-methyl-N-phenyl-2-[4-[6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 49789932
1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 127041883

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane?
The IUPAC name of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane (CID 158765595) is N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane.
What is the SMILES notation for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane?
The canonical SMILES for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane is C.C.CCOc1ccccc1-c1cc(NC(=O)C2CCN(CC)CC2)ncn1.CCOc1ccccc1-c1cc(NC(=O)C2CCNCC2)ncn1.
What is the InChIKey of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane?
The InChIKey is IPFIEUFDYBERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C18H22N4O2.2CH4/c1-3-24-11-9-15(10-12-24)20(25)23-19-13-17(21-14-22-19)16-7-5-6-8-18(16)26-4-2;1-2-24-16-6-4-3-5-14(16)15-11-17(21-12-20-15)22-18(23)13-7-9-19-10-8-13;;/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,21,22,23,25);3-6,11-13,19H,2,7-10H2,1H3,(H,20,21,22,23);2*1H4.
What are the key properties of N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane?
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane has a molecular weight of 712.94 g/mol, XLogP of 6.97, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-ethylpiperidine-4-carboxamide;N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide;methane is sourced from PubChem (CID 158765595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).