N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide

C20H25N5O3 — CID 68556711

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C20H25N5O3/c1-24(2)19(26)13-28-16-8-6-7-15(11-16)23-20(27)17-12-18(22-14-21-17)25-9-4-3-5-10-25/h6-8,11-12,14H,3-5,9-10,13H2,1-2H3,(H,23,27)
InChIKeyKJWULMBDWAQYFC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.19
Rot. Bonds6

About N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 68556711) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID68556711
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C20H25N5O3/c1-24(2)19(26)13-28-16-8-6-7-15(11-16)23-20(27)17-12-18(22-14-21-17)25-9-4-3-5-10-25/h6-8,11-12,14H,3-5,9-10,13H2,1-2H3,(H,23,27)
InChIKeyKJWULMBDWAQYFC-UHFFFAOYSA-N
XLogP2.19
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 68556711) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide is CN(C)C(=O)COc1cccc(NC(=O)c2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KJWULMBDWAQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-24(2)19(26)13-28-16-8-6-7-15(11-16)23-20(27)17-12-18(22-14-21-17)25-9-4-3-5-10-25/h6-8,11-12,14H,3-5,9-10,13H2,1-2H3,(H,23,27).
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68556711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).