N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C22H31N5O — CID 46989665

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3
InChIKeyDMABXVPQRKUSPX-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 46989665) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID46989665
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3
InChIKeyDMABXVPQRKUSPX-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxypyrimidin-2-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 78852719
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 94618620
N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51095520
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
cis-(1R,3S)-3-[2-hydroxyethyl-[(2-methylphenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 121494451
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 26558342
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
N-methyl-N-[(2-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35440107
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42819440

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 46989665) is N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is DMABXVPQRKUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46989665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).