N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

C23H25N5O — CID 92616857

IUPACN-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1
InChIInChI=1S/C23H25N5O/c1-16-10-19(20-12-24-15-25-13-20)11-22(26-16)23-4-3-9-28(23)14-18-5-7-21(8-6-18)27-17(2)29/h5-8,10-13,15,23H,3-4,9,14H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKeyDGLGMSYSCOBRRX-QHCPKHFHSA-N
MW387.49 g/mol
LogP4.14
Rot. Bonds5

About N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 92616857) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID92616857
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1
InChIInChI=1S/C23H25N5O/c1-16-10-19(20-12-24-15-25-13-20)11-22(26-16)23-4-3-9-28(23)14-18-5-7-21(8-6-18)27-17(2)29/h5-8,10-13,15,23H,3-4,9,14H2,1-2H3,(H,27,29)/t23-/m0/s1
InChIKeyDGLGMSYSCOBRRX-QHCPKHFHSA-N
XLogP4.14
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrimidine
CID 110262632
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799284
1-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 110252451
N-[4-[[2-(4-chloro-1-methylpyrazol-5-yl)azepan-1-yl]methyl]phenyl]acetamide
CID 56832365
5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92616860
N,N,2-trimethyl-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyridin-4-amine
CID 110256927
N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 86952041
N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[4-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]phenyl]acetamide
CID 99957918

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 92616857) is N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC[C@H]2c2cc(-c3cncnc3)cc(C)n2)cc1.
What is the InChIKey of N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is DGLGMSYSCOBRRX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-10-19(20-12-24-15-25-13-20)11-22(26-16)23-4-3-9-28(23)14-18-5-7-21(8-6-18)27-17(2)29/h5-8,10-13,15,23H,3-4,9,14H2,1-2H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 92616857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).