N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

C22H27N5O — CID 125020442

IUPACN-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCOc1cccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cnn(C)c4)C3)c2)c1
InChIInChI=1S/C22H27N5O/c1-16-9-20(25-19-5-4-6-21(10-19)28-3)11-22(24-16)18-7-8-27(15-18)14-17-12-23-26(2)13-17/h4-6,9-13,18H,7-8,14-15H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyYCVCOCHUVXVDDL-GOSISDBHSA-N
MW377.49 g/mol
LogP3.87
Rot. Bonds6

About N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine

N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (PubChem CID 125020442) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
PubChem CID125020442
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
SMILESCOc1cccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cnn(C)c4)C3)c2)c1
InChIInChI=1S/C22H27N5O/c1-16-9-20(25-19-5-4-6-21(10-19)28-3)11-22(24-16)18-7-8-27(15-18)14-17-12-23-26(2)13-17/h4-6,9-13,18H,7-8,14-15H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyYCVCOCHUVXVDDL-GOSISDBHSA-N
XLogP3.87
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
2-[(3S)-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-6-methylpyridin-4-amine
CID 125011716
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
3-[[3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110105906
(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 124975171
N,2-dimethyl-6-[(3S)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020310
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 97422458
N,2-dimethyl-6-[(3R)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020309

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine (CID 125020442) is N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is COc1cccc(Nc2cc(C)nc([C@@H]3CCN(Cc4cnn(C)c4)C3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
The InChIKey is YCVCOCHUVXVDDL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16-9-20(25-19-5-4-6-21(10-19)28-3)11-22(24-16)18-7-8-27(15-18)14-17-12-23-26(2)13-17/h4-6,9-13,18H,7-8,14-15H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine?
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 125020442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).