2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide

C19H25ClN6O — CID 167936696

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc(N2CCC(NC(=O)CN(C)c3ccc(Cl)cn3)CC2)nc(C)n1
InChIInChI=1S/C19H25ClN6O/c1-13-10-18(23-14(2)22-13)26-8-6-16(7-9-26)24-19(27)12-25(3)17-5-4-15(20)11-21-17/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,27)
InChIKeyXIFLVEVVEOXBIK-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.36
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 167936696) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID167936696
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc(N2CCC(NC(=O)CN(C)c3ccc(Cl)cn3)CC2)nc(C)n1
InChIInChI=1S/C19H25ClN6O/c1-13-10-18(23-14(2)22-13)26-8-6-16(7-9-26)24-19(27)12-25(3)17-5-4-15(20)11-21-17/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,27)
InChIKeyXIFLVEVVEOXBIK-UHFFFAOYSA-N
XLogP2.36
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide 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

2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766068
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813048
3-(2,5-dichlorophenyl)-1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-1-methylurea
CID 99798806
3-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119954156
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 163326768
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-ethoxybenzamide
CID 136512747
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-(propan-2-ylamino)piperidine-1-carboxamide
CID 126778638

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide (CID 167936696) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide is Cc1cc(N2CCC(NC(=O)CN(C)c3ccc(Cl)cn3)CC2)nc(C)n1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is XIFLVEVVEOXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c1-13-10-18(23-14(2)22-13)26-8-6-16(7-9-26)24-19(27)12-25(3)17-5-4-15(20)11-21-17/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,24,27).
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 388.90 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 167936696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).