N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide

C17H24N4O3 — CID 134073729

IUPACN-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(=O)n2c(n1)CN(C1CCOC1)CCC2)C1CC1
InChIInChI=1S/C17H24N4O3/c22-16-8-13(9-18-17(23)12-2-3-12)19-15-10-20(5-1-6-21(15)16)14-4-7-24-11-14/h8,12,14H,1-7,9-11H2,(H,18,23)
InChIKeyMWQQMLWEIIXKNJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.26
Rot. Bonds4

About N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide

N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 134073729) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
PubChem CID134073729
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cc(=O)n2c(n1)CN(C1CCOC1)CCC2)C1CC1
InChIInChI=1S/C17H24N4O3/c22-16-8-13(9-18-17(23)12-2-3-12)19-15-10-20(5-1-6-21(15)16)14-4-7-24-11-14/h8,12,14H,1-7,9-11H2,(H,18,23)
InChIKeyMWQQMLWEIIXKNJ-UHFFFAOYSA-N
XLogP0.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-[[(2-cyclopropylacetyl)amino]methyl]-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepine-9-carboxamide
CID 97467782
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-4-carboxamide;formic acid
CID 154909808
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 98817954
(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 136822796
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
5-methyl-N-[(4-oxo-9-propyl-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 97467812
N-[[9-(cyclopropylmethyl)-4-oxo-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118744635
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
6-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridazin-3-amine
CID 131659046
9-cyclopropylsulfonyl-2-(pyrrolidin-1-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-4-one
CID 97382244
(3S)-1-(oxan-4-yl)-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97204559

Frequently Asked Questions

What is the IUPAC name of N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide (CID 134073729) is N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cc(=O)n2c(n1)CN(C1CCOC1)CCC2)C1CC1.
What is the InChIKey of N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MWQQMLWEIIXKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16-8-13(9-18-17(23)12-2-3-12)19-15-10-20(5-1-6-21(15)16)14-4-7-24-11-14/h8,12,14H,1-7,9-11H2,(H,18,23).
What are the key properties of N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide?
N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 134073729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).