N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide

C10H13N3O — CID 104626323

IUPACN-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cncnc1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-13-10(14)9-6-11-8-12-7-9/h2-3,6-8H,4-5H2,1H3,(H,13,14)/b3-2+
InChIKeyWYSSGEMXPWHOTO-NSCUHMNNSA-N
MW191.23 g/mol
LogP1.17
Rot. Bonds4

About N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide

N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide (PubChem CID 104626323) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
PubChem CID104626323
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
SMILESC/C=C/CCNC(=O)c1cncnc1
InChIInChI=1S/C10H13N3O/c1-2-3-4-5-13-10(14)9-6-11-8-12-7-9/h2-3,6-8H,4-5H2,1H3,(H,13,14)/b3-2+
InChIKeyWYSSGEMXPWHOTO-NSCUHMNNSA-N
XLogP1.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
4-[[(E)-pent-3-enyl]carbamoyl]benzoic acid
CID 115910429
6-chloro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115627725
N-[(E)-pent-3-enyl]-1H-imidazole-5-carboxamide
CID 115629259
3,4,5-trifluoro-N-[(E)-pent-3-enyl]benzamide
CID 115627840
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
N-[(E)-pent-3-enyl]-1H-1,2,4-triazole-5-carboxamide
CID 115749138
N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
CID 130266298
N-(2-cyanoethyl)pyrimidine-5-carboxamide
CID 102921796
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
N-(3-chloropentyl)pyrimidine-5-carboxamide
CID 102922848

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide (CID 104626323) is N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide is C/C=C/CCNC(=O)c1cncnc1.
What is the InChIKey of N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide?
The InChIKey is WYSSGEMXPWHOTO-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-4-5-13-10(14)9-6-11-8-12-7-9/h2-3,6-8H,4-5H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide?
N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 104626323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).