N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide

C18H24N6O — CID 95838085

IUPACN,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1cc(N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)ncn1
InChIInChI=1S/C18H24N6O/c1-12-8-16(21-11-20-12)24-7-5-6-14(10-24)17-19-9-15(13(2)22-17)18(25)23(3)4/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1
InChIKeyPAWBEOQPZRBQAX-AWEZNQCLSA-N
MW340.43 g/mol
LogP1.97
Rot. Bonds3

About N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide

N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 95838085) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID95838085
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1cc(N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)ncn1
InChIInChI=1S/C18H24N6O/c1-12-8-16(21-11-20-12)24-7-5-6-14(10-24)17-19-9-15(13(2)22-17)18(25)23(3)4/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1
InChIKeyPAWBEOQPZRBQAX-AWEZNQCLSA-N
XLogP1.97
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

3-[6-methyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-yl]propanoic acid
CID 95827284
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
(3S)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839551
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839552
N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084736
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95829191
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110249022
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N-methyl-7-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124985983
2-imidazol-1-yl-6-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrazine
CID 110253590

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 95838085) is N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide is Cc1cc(N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)ncn1.
What is the InChIKey of N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is PAWBEOQPZRBQAX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-8-16(21-11-20-12)24-7-5-6-14(10-24)17-19-9-15(13(2)22-17)18(25)23(3)4/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1.
What are the key properties of N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95838085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).