N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

C19H26N4O3 — CID 37036301

IUPACN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C(C)C)nc21
InChIInChI=1S/C19H26N4O3/c1-10(2)9-23-16-15(18(25)22-19(23)26)13(7-14(21-16)11(3)4)17(24)20-8-12-5-6-12/h7,10-12H,5-6,8-9H2,1-4H3,(H,20,24)(H,22,25,26)
InChIKeyJMMDNWOZTGOFFQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.00
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 37036301) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID37036301
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C(C)C)nc21
InChIInChI=1S/C19H26N4O3/c1-10(2)9-23-16-15(18(25)22-19(23)26)13(7-14(21-16)11(3)4)17(24)20-8-12-5-6-12/h7,10-12H,5-6,8-9H2,1-4H3,(H,20,24)(H,22,25,26)
InChIKeyJMMDNWOZTGOFFQ-UHFFFAOYSA-N
XLogP2.00
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 37036301) is N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCC3CC3)cc(C(C)C)nc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JMMDNWOZTGOFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-10(2)9-23-16-15(18(25)22-19(23)26)13(7-14(21-16)11(3)4)17(24)20-8-12-5-6-12/h7,10-12H,5-6,8-9H2,1-4H3,(H,20,24)(H,22,25,26).
What are the key properties of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 37036301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).