N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide

C27H39N5O2 — CID 110150981

IUPACN,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCN(Cc3ccccc3OCCN3CCCC3)CC2)n1
InChIInChI=1S/C27H39N5O2/c1-21-19-23(25(33)30(3)4)29-26(28-21)27(2)11-15-32(16-12-27)20-22-9-5-6-10-24(22)34-18-17-31-13-7-8-14-31/h5-6,9-10,19H,7-8,11-18,20H2,1-4H3
InChIKeyOSVDVNUTMPFYSD-UHFFFAOYSA-N
MW465.64 g/mol
LogP3.52
Rot. Bonds8

About N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide

N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 110150981) has the molecular formula C27H39N5O2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID110150981
Molecular FormulaC27H39N5O2
Molecular Weight465.64 g/mol
Exact Mass465.31
IUPAC NameN,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)C)nc(C2(C)CCN(Cc3ccccc3OCCN3CCCC3)CC2)n1
InChIInChI=1S/C27H39N5O2/c1-21-19-23(25(33)30(3)4)29-26(28-21)27(2)11-15-32(16-12-27)20-22-9-5-6-10-24(22)34-18-17-31-13-7-8-14-31/h5-6,9-10,19H,7-8,11-18,20H2,1-4H3
InChIKeyOSVDVNUTMPFYSD-UHFFFAOYSA-N
XLogP3.52
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[2-(2-methoxyphenyl)phenyl]methyl]-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
CID 129454151
2-[1-(2,2-diphenylpropanoyl)-4-methylpiperidin-4-yl]-N,N,6-trimethylpyrimidine-4-carboxamide
CID 175658636
2-hydroxypropane-1,2,3-tricarboxylic acid;4-(2-methoxyphenyl)-1-[[2-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-ol
CID 171670521
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
[2-(piperidin-1-ylmethyl)phenyl] N,N-dimethylcarbamate
CID 11043577
(3R)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990038
(3S)-3-benzyl-2-methyl-8-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 124990039
3-[[4-[2-(2-ethylphenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 50961018
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
ethyl 2-amino-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoate
CID 170885936
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide (CID 110150981) is N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)C)nc(C2(C)CCN(Cc3ccccc3OCCN3CCCC3)CC2)n1.
What is the InChIKey of N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is OSVDVNUTMPFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O2/c1-21-19-23(25(33)30(3)4)29-26(28-21)27(2)11-15-32(16-12-27)20-22-9-5-6-10-24(22)34-18-17-31-13-7-8-14-31/h5-6,9-10,19H,7-8,11-18,20H2,1-4H3.
What are the key properties of N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide?
N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 465.64 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-2-[4-methyl-1-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110150981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).