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

C22H32N4O3 — CID 55921428

IUPACN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C22H32N4O3/c1-6-9-25(12-15-7-8-15)21(28)16-10-17(14(4)5)23-19-18(16)20(27)24-22(29)26(19)11-13(2)3/h10,13-15H,6-9,11-12H2,1-5H3,(H,24,27,29)
InChIKeyAOMSWLKHVABFBF-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.13
Rot. Bonds8

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

N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55921428) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55921428
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C
InChIInChI=1S/C22H32N4O3/c1-6-9-25(12-15-7-8-15)21(28)16-10-17(14(4)5)23-19-18(16)20(27)24-22(29)26(19)11-13(2)3/h10,13-15H,6-9,11-12H2,1-5H3,(H,24,27,29)
InChIKeyAOMSWLKHVABFBF-UHFFFAOYSA-N
XLogP3.13
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
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-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55921428) is N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCN(CC1CC1)C(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is AOMSWLKHVABFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-9-25(12-15-7-8-15)21(28)16-10-17(14(4)5)23-19-18(16)20(27)24-22(29)26(19)11-13(2)3/h10,13-15H,6-9,11-12H2,1-5H3,(H,24,27,29).
What are the key properties of N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(cyclopropylmethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 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-yl-N-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55921428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).