1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H22N4O3 — CID 84584099

IUPAC1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1CCCCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C18H22N4O3/c1-11-5-3-2-4-8-21(11)17(24)12-9-14-15(19-10-12)22(13-6-7-13)18(25)20-16(14)23/h9-11,13H,2-8H2,1H3,(H,20,23,25)
InChIKeyPTVWNAPZDDLLFC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.82
Rot. Bonds2

About 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 84584099) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID84584099
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1CCCCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C18H22N4O3/c1-11-5-3-2-4-8-21(11)17(24)12-9-14-15(19-10-12)22(13-6-7-13)18(25)20-16(14)23/h9-11,13H,2-8H2,1H3,(H,20,23,25)
InChIKeyPTVWNAPZDDLLFC-UHFFFAOYSA-N
XLogP1.82
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nevirapine
CID 4463
7-Amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide
CID 14998470
2-Hydroxy nevirapine
CID 10850461
Propizepine
CID 112029
N11-Cyclopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453309
2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 463134
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 35
CID 463555
N11-Cyclopropyl-4,N5-dimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453333
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
1H-Pyrido[2,3-d]pyrimidine-2,4-dione
CID 270260

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 84584099) is 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC1CCCCCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PTVWNAPZDDLLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-5-3-2-4-8-21(11)17(24)12-9-14-15(19-10-12)22(13-6-7-13)18(25)20-16(14)23/h9-11,13H,2-8H2,1H3,(H,20,23,25).
What are the key properties of 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 84584099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).