(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C19H24N4O — CID 39692566

IUPAC(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1C
InChIInChI=1S/C19H24N4O/c1-3-23(17-10-5-4-8-15(17)2)18(24)16-9-6-13-22(14-16)19-20-11-7-12-21-19/h4-5,7-8,10-12,16H,3,6,9,13-14H2,1-2H3/t16-/m0/s1
InChIKeyKVBYHLKSSVDLSP-INIZCTEOSA-N
MW324.43 g/mol
LogP3.05
Rot. Bonds4

About (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 39692566) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID39692566
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1C
InChIInChI=1S/C19H24N4O/c1-3-23(17-10-5-4-8-15(17)2)18(24)16-9-6-13-22(14-16)19-20-11-7-12-21-19/h4-5,7-8,10-12,16H,3,6,9,13-14H2,1-2H3/t16-/m0/s1
InChIKeyKVBYHLKSSVDLSP-INIZCTEOSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 39976071
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
N-(2-methylphenyl)-N-propyl-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-3-carboxamide
CID 20912397
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
N-(2-benzyl-5-methylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55580302

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 39692566) is (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCN(C(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1C.
What is the InChIKey of (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is KVBYHLKSSVDLSP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-23(17-10-5-4-8-15(17)2)18(24)16-9-6-13-22(14-16)19-20-11-7-12-21-19/h4-5,7-8,10-12,16H,3,6,9,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 39692566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).