N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

C16H24N4O3 — CID 97467766

IUPACN-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2
InChIInChI=1S/C16H24N4O3/c1-23-11-15(21)17-8-13-7-16(22)20-6-2-5-19(9-12-3-4-12)10-14(20)18-13/h7,12H,2-6,8-11H2,1H3,(H,17,21)
InChIKeyFOOCGGVNAOBMQD-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.12
Rot. Bonds6

About N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide

N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (PubChem CID 97467766) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
PubChem CID97467766
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2
InChIInChI=1S/C16H24N4O3/c1-23-11-15(21)17-8-13-7-16(22)20-6-2-5-19(9-12-3-4-12)10-14(20)18-13/h7,12H,2-6,8-11H2,1H3,(H,17,21)
InChIKeyFOOCGGVNAOBMQD-UHFFFAOYSA-N
XLogP0.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide (CID 97467766) is N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc(=O)n2c(n1)CN(CC1CC1)CCC2.
What is the InChIKey of N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is FOOCGGVNAOBMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-11-15(21)17-8-13-7-16(22)20-6-2-5-19(9-12-3-4-12)10-14(20)18-13/h7,12H,2-6,8-11H2,1H3,(H,17,21).
What are the key properties of N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide?
N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 320.39 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 97467766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).