[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone

C20H21N5O — CID 126887578

IUPAC[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(NC2CCN(C(=O)c3ccc4ncccc4c3)CC2)ncn1
InChIInChI=1S/C20H21N5O/c1-14-11-19(23-13-22-14)24-17-6-9-25(10-7-17)20(26)16-4-5-18-15(12-16)3-2-8-21-18/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,22,23,24)
InChIKeyPQYQGMUSLRGZLH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.05
Rot. Bonds3

About [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone

[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 126887578) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID126887578
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCc1cc(NC2CCN(C(=O)c3ccc4ncccc4c3)CC2)ncn1
InChIInChI=1S/C20H21N5O/c1-14-11-19(23-13-22-14)24-17-6-9-25(10-7-17)20(26)16-4-5-18-15(12-16)3-2-8-21-18/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,22,23,24)
InChIKeyPQYQGMUSLRGZLH-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887543
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
(2-methylpyrazol-3-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887582
6-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887868
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
3-[4-[(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126887533
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655

Frequently Asked Questions

What is the IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone (CID 126887578) is [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone is Cc1cc(NC2CCN(C(=O)c3ccc4ncccc4c3)CC2)ncn1.
What is the InChIKey of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is PQYQGMUSLRGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-11-19(23-13-22-14)24-17-6-9-25(10-7-17)20(26)16-4-5-18-15(12-16)3-2-8-21-18/h2-5,8,11-13,17H,6-7,9-10H2,1H3,(H,22,23,24).
What are the key properties of [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone?
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 126887578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).