N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide

C23H33N5O — CID 112847196

IUPACN-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-5-19-10-8-9-15-28(19)22-16-21(24-17(4)25-22)23(29)26-18-11-13-20(14-12-18)27(6-2)7-3/h11-14,16,19H,5-10,15H2,1-4H3,(H,26,29)
InChIKeyXZGSNFYIWUFPPO-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.65
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide

N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112847196) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID112847196
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-5-19-10-8-9-15-28(19)22-16-21(24-17(4)25-22)23(29)26-18-11-13-20(14-12-18)27(6-2)7-3/h11-14,16,19H,5-10,15H2,1-4H3,(H,26,29)
InChIKeyXZGSNFYIWUFPPO-UHFFFAOYSA-N
XLogP4.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847153
N-ethyl-6-(2-ethylpiperidin-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847159
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
4-[[4-chloro-6-[(2S)-2-ethylpiperidin-1-yl]pyridine-2-carbonyl]amino]-2-methylbenzoic acid
CID 171085229
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365891
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
2-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333798
[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365565
1-[4-[[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876501
6-(azepan-1-yl)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 112847752
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175704

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 112847196) is N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)Nc2ccc(N(CC)CC)cc2)nc(C)n1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is XZGSNFYIWUFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-5-19-10-8-9-15-28(19)22-16-21(24-17(4)25-22)23(29)26-18-11-13-20(14-12-18)27(6-2)7-3/h11-14,16,19H,5-10,15H2,1-4H3,(H,26,29).
What are the key properties of N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).