N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide

C22H29N5O — CID 136545875

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)C3CCN(c4ccccc4)C3)CC2)ncn1
InChIInChI=1S/C22H29N5O/c1-2-18-14-21(24-16-23-18)26-12-9-19(10-13-26)25-22(28)17-8-11-27(15-17)20-6-4-3-5-7-20/h3-7,14,16-17,19H,2,8-13,15H2,1H3,(H,25,28)
InChIKeyJJXKHCSMLYRRFS-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.65
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide (PubChem CID 136545875) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
PubChem CID136545875
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)C3CCN(c4ccccc4)C3)CC2)ncn1
InChIInChI=1S/C22H29N5O/c1-2-18-14-21(24-16-23-18)26-12-9-19(10-13-26)25-22(28)17-8-11-27(15-17)20-6-4-3-5-7-20/h3-7,14,16-17,19H,2,8-13,15H2,1H3,(H,25,28)
InChIKeyJJXKHCSMLYRRFS-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 126794942
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
[6-[3-(phenylcarbamoyl)pyrrolidin-1-yl]pyrimidin-4-yl]methylcarbamic acid
CID 135186058

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide (CID 136545875) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide is CCc1cc(N2CCC(NC(=O)C3CCN(c4ccccc4)C3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JJXKHCSMLYRRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-2-18-14-21(24-16-23-18)26-12-9-19(10-13-26)25-22(28)17-8-11-27(15-17)20-6-4-3-5-7-20/h3-7,14,16-17,19H,2,8-13,15H2,1H3,(H,25,28).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136545875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).