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

C16H23N5O3 — CID 119384530

IUPACN-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21
InChIInChI=1S/C16H23N5O3/c1-4-7-21-13-12(15(23)20-16(21)24)10(14(22)18-6-5-17)8-11(19-13)9(2)3/h8-9H,4-7,17H2,1-3H3,(H,18,22)(H,20,23,24)
InChIKeyFMIZRWWFCNFMOS-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.31
Rot. Bonds6

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

N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 119384530) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID119384530
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21
InChIInChI=1S/C16H23N5O3/c1-4-7-21-13-12(15(23)20-16(21)24)10(14(22)18-6-5-17)8-11(19-13)9(2)3/h8-9H,4-7,17H2,1-3H3,(H,18,22)(H,20,23,24)
InChIKeyFMIZRWWFCNFMOS-UHFFFAOYSA-N
XLogP0.31
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119384958
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
N-(2-amino-2-ethylbutyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119642692
N-[2-(4-methylphenyl)sulfanylethyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55569397
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119607991
N-(furan-3-ylmethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55962585
1-ethyl-N-(4-methylpentyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 33077897
N-(3-chlorophenyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55568821
2,4-dioxo-N-piperidin-3-yl-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119427769
2,4-dioxo-N-(piperidin-3-ylmethyl)-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119463221
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55620756
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 56537653

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 119384530) is N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN)cc(C(C)C)nc21.
What is the InChIKey of N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FMIZRWWFCNFMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-4-7-21-13-12(15(23)20-16(21)24)10(14(22)18-6-5-17)8-11(19-13)9(2)3/h8-9H,4-7,17H2,1-3H3,(H,18,22)(H,20,23,24).
What are the key properties of N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 119384530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).