[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone

C18H23N5O — CID 109249940

IUPAC[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCN(CCc1ccncc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H23N5O/c1-22(12-7-15-5-8-19-9-6-15)18-20-13-16(14-21-18)17(24)23-10-3-2-4-11-23/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3
InChIKeyRPLXLKVSJHUOOV-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.18
Rot. Bonds5

About [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249940) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249940
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCN(CCc1ccncc1)c1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H23N5O/c1-22(12-7-15-5-8-19-9-6-15)18-20-13-16(14-21-18)17(24)23-10-3-2-4-11-23/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3
InChIKeyRPLXLKVSJHUOOV-UHFFFAOYSA-N
XLogP2.18
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone
CID 109260680
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
(4-ethylpiperazin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109302549
[2-(dimethylamino)pyrimidin-5-yl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102849
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
5-bromo-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 63874581
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
[2-(N-ethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249997
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 31868528
1-[4-[3-[methyl(2-pyridin-4-ylethyl)amino]-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946858

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249940) is [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone is CN(CCc1ccncc1)c1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is RPLXLKVSJHUOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-22(12-7-15-5-8-19-9-6-15)18-20-13-16(14-21-18)17(24)23-10-3-2-4-11-23/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3.
What are the key properties of [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 325.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).