N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine

C23H27N5O — CID 95832802

IUPACN-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
SMILESCOc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1
InChIInChI=1S/C23H27N5O/c1-16-6-7-18(22(11-16)29-3)15-28-10-4-5-21(28)20-13-19(12-17(2)26-20)27-23-14-24-8-9-25-23/h6-9,11-14,21H,4-5,10,15H2,1-3H3,(H,25,26,27)/t21-/m1/s1
InChIKeyNNFIVAHGTZFMEZ-OAQYLSRUSA-N
MW389.50 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine

N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine (PubChem CID 95832802) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
PubChem CID95832802
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
SMILESCOc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1
InChIInChI=1S/C23H27N5O/c1-16-6-7-18(22(11-16)29-3)15-28-10-4-5-21(28)20-13-19(12-17(2)26-20)27-23-14-24-8-9-25-23/h6-9,11-14,21H,4-5,10,15H2,1-3H3,(H,25,26,27)/t21-/m1/s1
InChIKeyNNFIVAHGTZFMEZ-OAQYLSRUSA-N
XLogP4.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine with MolForge

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Related Compounds

N-[2-[1-[(6-methoxy-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110262879
N-[2-[(3R)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 95834980
N-[2-[1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262883
N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 95835668
5-ethyl-N-[6-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836335
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136881696
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
4-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860729
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
N-(4-methoxyphenyl)-2-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832591
N-(4-methoxyphenyl)-2-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832590

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The IUPAC name of N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine (CID 95832802) is N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The canonical SMILES for N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine is COc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1.
What is the InChIKey of N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
The InChIKey is NNFIVAHGTZFMEZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-6-7-18(22(11-16)29-3)15-28-10-4-5-21(28)20-13-19(12-17(2)26-20)27-23-14-24-8-9-25-23/h6-9,11-14,21H,4-5,10,15H2,1-3H3,(H,25,26,27)/t21-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine?
N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 95832802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).