N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

C19H25N5O3 — CID 46553241

IUPACN-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C4CC4)CC3)cnc21
InChIInChI=1S/C19H25N5O3/c1-2-7-24-16-15(18(26)22-19(24)27)10-12(11-20-16)17(25)21-13-5-8-23(9-6-13)14-3-4-14/h10-11,13-14H,2-9H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyFIMRVIYLJVBCMF-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.85
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide

N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46553241) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID46553241
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C4CC4)CC3)cnc21
InChIInChI=1S/C19H25N5O3/c1-2-7-24-16-15(18(26)22-19(24)27)10-12(11-20-16)17(25)21-13-5-8-23(9-6-13)14-3-4-14/h10-11,13-14H,2-9H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyFIMRVIYLJVBCMF-UHFFFAOYSA-N
XLogP0.85
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide (CID 46553241) is N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NC3CCN(C4CC4)CC3)cnc21.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FIMRVIYLJVBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-7-24-16-15(18(26)22-19(24)27)10-12(11-20-16)17(25)21-13-5-8-23(9-6-13)14-3-4-14/h10-11,13-14H,2-9H2,1H3,(H,21,25)(H,22,26,27).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide?
N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46553241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).