N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C20H24N6O3 — CID 78903699

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cnc2n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-25-17-15(19(28)26(2)20(25)29)9-13(11-21-17)18(27)22-16-10-14(23-24-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H2,22,23,24,27)
InChIKeyQENCFYMQOGGNMZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.73
Rot. Bonds4

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 78903699) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID78903699
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cnc2n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-25-17-15(19(28)26(2)20(25)29)9-13(11-21-17)18(27)22-16-10-14(23-24-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H2,22,23,24,27)
InChIKeyQENCFYMQOGGNMZ-UHFFFAOYSA-N
XLogP1.73
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 78903699) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)Nc3cc(CC4CCCCC4)[nH]n3)cnc2n(C)c1=O.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QENCFYMQOGGNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-25-17-15(19(28)26(2)20(25)29)9-13(11-21-17)18(27)22-16-10-14(23-24-16)8-12-6-4-3-5-7-12/h9-12H,3-8H2,1-2H3,(H2,22,23,24,27).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 78903699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).