2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C27H33N5O — CID 42292345

IUPAC2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)nc(C)n1
InChIInChI=1S/C27H33N5O/c1-20-7-4-5-9-25(20)19-31-13-10-23(11-14-31)17-32(18-24-8-6-12-28-16-24)27(33)26-15-21(2)29-22(3)30-26/h4-9,12,15-16,23H,10-11,13-14,17-19H2,1-3H3
InChIKeyTUUYBWHQVFTPSD-UHFFFAOYSA-N
MW443.60 g/mol
LogP4.35
Rot. Bonds7

About 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 42292345) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID42292345
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)nc(C)n1
InChIInChI=1S/C27H33N5O/c1-20-7-4-5-9-25(20)19-31-13-10-23(11-14-31)17-32(18-24-8-6-12-28-16-24)27(33)26-15-21(2)29-22(3)30-26/h4-9,12,15-16,23H,10-11,13-14,17-19H2,1-3H3
InChIKeyTUUYBWHQVFTPSD-UHFFFAOYSA-N
XLogP4.35
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopentene-1-carboxamide
CID 42592854
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
CID 72931964
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42198078
N,N-dimethyl-N'-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 42293134
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 25289387
1-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 25274827
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74775024
N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42291823
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 45221593
N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42518407
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 42292345) is 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(Cc2cccnc2)CC2CCN(Cc3ccccc3C)CC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is TUUYBWHQVFTPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-20-7-4-5-9-25(20)19-31-13-10-23(11-14-31)17-32(18-24-8-6-12-28-16-24)27(33)26-15-21(2)29-22(3)30-26/h4-9,12,15-16,23H,10-11,13-14,17-19H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 42292345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).