N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C21H29N5O — CID 134034906

IUPACN-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN(c2ncccn2)C1)c1ccccc1
InChIInChI=1S/C21H29N5O/c1-2-25(19-10-4-3-5-11-19)16-8-14-22-20(27)18-9-6-15-26(17-18)21-23-12-7-13-24-21/h3-5,7,10-13,18H,2,6,8-9,14-17H2,1H3,(H,22,27)
InChIKeyHKQYUTCONWMITM-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.73
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 134034906) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID134034906
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCN(CCCNC(=O)C1CCCN(c2ncccn2)C1)c1ccccc1
InChIInChI=1S/C21H29N5O/c1-2-25(19-10-4-3-5-11-19)16-8-14-22-20(27)18-9-6-15-26(17-18)21-23-12-7-13-24-21/h3-5,7,10-13,18H,2,6,8-9,14-17H2,1H3,(H,22,27)
InChIKeyHKQYUTCONWMITM-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(N-ethylanilino)propyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839463
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(3R)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[3-(N-ethylanilino)propyl]piperidine-3-carboxamide
CID 51661845
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
(3S)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085491
(3R)-1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 95085490
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[3-(N-methylanilino)propyl]piperidine-3-carboxamide
CID 53106974
(3S)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085825
(3R)-N-hexyl-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085824
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 134034906) is N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCN(CCCNC(=O)C1CCCN(c2ncccn2)C1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is HKQYUTCONWMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-25(19-10-4-3-5-11-19)16-8-14-22-20(27)18-9-6-15-26(17-18)21-23-12-7-13-24-21/h3-5,7,10-13,18H,2,6,8-9,14-17H2,1H3,(H,22,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134034906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).