4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C23H25N5O — CID 51495772

IUPAC4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1nc(N2CCCC2)ncc1C(=O)N[C@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C23H25N5O/c1-2-20-19(16-25-23(26-20)28-13-6-7-14-28)22(29)27-21(17-9-4-3-5-10-17)18-11-8-12-24-15-18/h3-5,8-12,15-16,21H,2,6-7,13-14H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyMAHXEOUXJRNNRO-OAQYLSRUSA-N
MW387.49 g/mol
LogP3.55
Rot. Bonds6

About 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 51495772) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID51495772
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCCc1nc(N2CCCC2)ncc1C(=O)N[C@H](c1ccccc1)c1cccnc1
InChIInChI=1S/C23H25N5O/c1-2-20-19(16-25-23(26-20)28-13-6-7-14-28)22(29)27-21(17-9-4-3-5-10-17)18-11-8-12-24-15-18/h3-5,8-12,15-16,21H,2,6-7,13-14H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyMAHXEOUXJRNNRO-OAQYLSRUSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589039
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 51589038
5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 94172656
4-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 46964047
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95096725
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
2-(4-methylpiperidin-1-yl)-4-(1-pyridin-3-ylcyclopentyl)-N-(1-pyridin-3-ylethyl)pyrimidine-5-carboxamide
CID 23548275
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952583
2-fluoro-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500204

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 51495772) is 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CCc1nc(N2CCCC2)ncc1C(=O)N[C@H](c1ccccc1)c1cccnc1.
What is the InChIKey of 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is MAHXEOUXJRNNRO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-20-19(16-25-23(26-20)28-13-6-7-14-28)22(29)27-21(17-9-4-3-5-10-17)18-11-8-12-24-15-18/h3-5,8-12,15-16,21H,2,6-7,13-14H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(R)-phenyl(pyridin-3-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 51495772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).