[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone

C26H32N6O2 — CID 110151212

IUPAC[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1cc(C)nc(C2(C)CCCN(C(=O)c3ccc(OC)c(NCc4cccnc4)c3)C2)n1
InChIInChI=1S/C26H32N6O2/c1-18-13-23(27-3)31-25(30-18)26(2)10-6-12-32(17-26)24(33)20-8-9-22(34-4)21(14-20)29-16-19-7-5-11-28-15-19/h5,7-9,11,13-15,29H,6,10,12,16-17H2,1-4H3,(H,27,30,31)
InChIKeyHTSNGLCPZFYAQB-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.04
Rot. Bonds7

About [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone

[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 110151212) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID110151212
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCNc1cc(C)nc(C2(C)CCCN(C(=O)c3ccc(OC)c(NCc4cccnc4)c3)C2)n1
InChIInChI=1S/C26H32N6O2/c1-18-13-23(27-3)31-25(30-18)26(2)10-6-12-32(17-26)24(33)20-8-9-22(34-4)21(14-20)29-16-19-7-5-11-28-15-19/h5,7-9,11,13-15,29H,6,10,12,16-17H2,1-4H3,(H,27,30,31)
InChIKeyHTSNGLCPZFYAQB-UHFFFAOYSA-N
XLogP4.04
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124942852
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
1-[2-[3-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110151535
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110150380
N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026063
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[4-(pyrazolo[1,5-a]pyridin-4-ylmethyl)azepan-1-yl]methanone
CID 110150367
[4-(1H-indazol-5-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]methanone
CID 110150276
1-[4-methyl-4-[(3S)-3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 124971988
9-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110151259
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone (CID 110151212) is [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone is CNc1cc(C)nc(C2(C)CCCN(C(=O)c3ccc(OC)c(NCc4cccnc4)c3)C2)n1.
What is the InChIKey of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is HTSNGLCPZFYAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-18-13-23(27-3)31-25(30-18)26(2)10-6-12-32(17-26)24(33)20-8-9-22(34-4)21(14-20)29-16-19-7-5-11-28-15-19/h5,7-9,11,13-15,29H,6,10,12,16-17H2,1-4H3,(H,27,30,31).
What are the key properties of [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone?
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 460.58 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110151212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).