cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C19H24N4O5 — CID 120675692

IUPACcis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc(C(C)C)nc21
InChIInChI=1S/C19H24N4O5/c1-4-23-15-14(17(25)22-19(23)28)12(8-13(21-15)9(2)3)16(24)20-11-6-5-10(7-11)18(26)27/h8-11H,4-7H2,1-3H3,(H,20,24)(H,26,27)(H,22,25,28)/t10-,11+/m0/s1
InChIKeyXEXFLNDEQPDKON-WDEREUQCSA-N
MW388.42 g/mol
LogP1.21
Rot. Bonds5

About cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675692) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675692
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Namecis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc(C(C)C)nc21
InChIInChI=1S/C19H24N4O5/c1-4-23-15-14(17(25)22-19(23)28)12(8-13(21-15)9(2)3)16(24)20-11-6-5-10(7-11)18(26)27/h8-11H,4-7H2,1-3H3,(H,20,24)(H,26,27)(H,22,25,28)/t10-,11+/m0/s1
InChIKeyXEXFLNDEQPDKON-WDEREUQCSA-N
XLogP1.21
TPSA134.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675692) is cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc(C(C)C)nc21.
What is the InChIKey of cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is XEXFLNDEQPDKON-WDEREUQCSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-4-23-15-14(17(25)22-19(23)28)12(8-13(21-15)9(2)3)16(24)20-11-6-5-10(7-11)18(26)27/h8-11H,4-7H2,1-3H3,(H,20,24)(H,26,27)(H,22,25,28)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 388.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).