N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide

C17H18N4O2 — CID 134801894

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H18N4O2/c22-16(20-7-8-21-17(23)14-5-6-14)13-3-1-12(2-4-13)15-9-18-11-19-10-15/h1-4,9-11,14H,5-8H2,(H,20,22)(H,21,23)
InChIKeyJDRFGZQGPAQPHP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide (PubChem CID 134801894) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
PubChem CID134801894
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H18N4O2/c22-16(20-7-8-21-17(23)14-5-6-14)13-3-1-12(2-4-13)15-9-18-11-19-10-15/h1-4,9-11,14H,5-8H2,(H,20,22)(H,21,23)
InChIKeyJDRFGZQGPAQPHP-UHFFFAOYSA-N
XLogP1.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 51152969
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119299588
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
CID 134803616
CID 134803616
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[(3,4-dichlorophenyl)carbamoylamino]benzamide
CID 121062566
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide (CID 134801894) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide is O=C(NCCNC(=O)C1CC1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide?
The InChIKey is JDRFGZQGPAQPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(20-7-8-21-17(23)14-5-6-14)13-3-1-12(2-4-13)15-9-18-11-19-10-15/h1-4,9-11,14H,5-8H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide has a molecular weight of 310.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 134801894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).