N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H24N4O2 — CID 91779967

IUPACN-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-2-19(10-9-18-7-5-3-4-6-8-18)15(21)13-11-16-12-17-14(13)20/h11-12H,2-10H2,1H3,(H,16,17,20)
InChIKeyVQDANHDTZQLJCZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91779967) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91779967
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-2-19(10-9-18-7-5-3-4-6-8-18)15(21)13-11-16-12-17-14(13)20/h11-12H,2-10H2,1H3,(H,16,17,20)
InChIKeyVQDANHDTZQLJCZ-UHFFFAOYSA-N
XLogP1.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97283913
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735
N-[2-(azepan-1-yl)ethyl]-N-ethyl-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
CID 75257011
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(azepan-1-yl)ethyl]-N-ethylacetamide
CID 46995003
N-[2-(azepan-1-yl)ethyl]-N-ethyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50968215
2-(1H-imidazol-5-yl)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 58770958
2-[ethyl-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 63208770
N-[2-(3-ethoxyphenyl)-2-hydroxyethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110128838

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 91779967) is N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CCN1CCCCCC1)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VQDANHDTZQLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19(10-9-18-7-5-3-4-6-8-18)15(21)13-11-16-12-17-14(13)20/h11-12H,2-10H2,1H3,(H,16,17,20).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).