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

C20H28N4OS — CID 124958349

IUPACN,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C[C@@H]2CCCN(Cc3sccc3C)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C20H28N4OS/c1-14-7-9-26-19(14)13-24-8-5-6-16(12-24)10-17-11-18(20(25)23(3)4)22-15(2)21-17/h7,9,11,16H,5-6,8,10,12-13H2,1-4H3/t16-/m0/s1
InChIKeyGFQLEWBSNYTNDS-INIZCTEOSA-N
MW372.54 g/mol
LogP3.31
Rot. Bonds5

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

N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124958349) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124958349
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C[C@@H]2CCCN(Cc3sccc3C)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C20H28N4OS/c1-14-7-9-26-19(14)13-24-8-5-6-16(12-24)10-17-11-18(20(25)23(3)4)22-15(2)21-17/h7,9,11,16H,5-6,8,10,12-13H2,1-4H3/t16-/m0/s1
InChIKeyGFQLEWBSNYTNDS-INIZCTEOSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100816
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100807
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124983622

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124958349) is N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is Cc1nc(C[C@@H]2CCCN(Cc3sccc3C)C2)cc(C(=O)N(C)C)n1.
What is the InChIKey of N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is GFQLEWBSNYTNDS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-7-9-26-19(14)13-24-8-5-6-16(12-24)10-17-11-18(20(25)23(3)4)22-15(2)21-17/h7,9,11,16H,5-6,8,10,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124958349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).