[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C24H27N5O2 — CID 86342068

IUPAC[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCCOc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C24H27N5O2/c1-3-31-20-11-12-25-22(14-20)28-23-15-21(26-17(2)27-23)19-10-7-13-29(16-19)24(30)18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,19H,3,7,10,13,16H2,1-2H3,(H,25,26,27,28)
InChIKeyWGKQYERNIAIVEI-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.34
Rot. Bonds6

About [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 86342068) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID86342068
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCCOc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1
InChIInChI=1S/C24H27N5O2/c1-3-31-20-11-12-25-22(14-20)28-23-15-21(26-17(2)27-23)19-10-7-13-29(16-19)24(30)18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,19H,3,7,10,13,16H2,1-2H3,(H,25,26,27,28)
InChIKeyWGKQYERNIAIVEI-UHFFFAOYSA-N
XLogP4.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-((4-((4-Methoxypyridin-2-yl)amino)piperidin-1-yl)carbonyl)benzonitrile
CID 9797857
N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036877
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-ethoxy-2-pyridinyl)-3-fluorobenzamide
CID 162661097
[4-(4-Methoxy-pyridin-2-ylamino)-piperidin-1-yl]-phenyl-methanone
CID 11426929
[3-[2-Methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86341973
[3-[2-Methyl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342000
[3-[2-Methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342001
[3-[2-Methyl-6-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342002
[3-[2-Methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 117685339
[3-[6-[(4-Ethyl-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 117685471
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036414
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036824

Frequently Asked Questions

What is the IUPAC name of [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 86342068) is [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is CCOc1ccnc(Nc2cc(C3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1.
What is the InChIKey of [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is WGKQYERNIAIVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-3-31-20-11-12-25-22(14-20)28-23-15-21(26-17(2)27-23)19-10-7-13-29(16-19)24(30)18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,19H,3,7,10,13,16H2,1-2H3,(H,25,26,27,28).
What are the key properties of [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 417.51 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[(4-ethoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 86342068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).