N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide

C24H27ClN6O4 — CID 55812742

IUPACN-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)cc(C(C)C)nc21
InChIInChI=1S/C24H27ClN6O4/c1-4-31-20-19(22(33)29-24(31)35)16(10-17(27-20)13(2)3)23(34)30-9-5-6-14(12-30)21(32)28-18-8-7-15(25)11-26-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,28,32)(H,29,33,35)
InChIKeyZTVOUBAAVLNYFG-UHFFFAOYSA-N
MW498.97 g/mol
LogP2.77
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide (PubChem CID 55812742) has the molecular formula C24H27ClN6O4 and a molecular weight of 498.97 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide
PubChem CID55812742
Molecular FormulaC24H27ClN6O4
Molecular Weight498.97 g/mol
Exact Mass498.18
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)cc(C(C)C)nc21
InChIInChI=1S/C24H27ClN6O4/c1-4-31-20-19(22(33)29-24(31)35)16(10-17(27-20)13(2)3)23(34)30-9-5-6-14(12-30)21(32)28-18-8-7-15(25)11-26-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,28,32)(H,29,33,35)
InChIKeyZTVOUBAAVLNYFG-UHFFFAOYSA-N
XLogP2.77
TPSA130.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3R)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 39297698
1-ethyl-5-[4-(4-methylpentanoyl)piperazine-1-carbonyl]-7-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 55977629
(3R)-N-(5-chloro-2-pyridinyl)-1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidine-3-carboxamide
CID 51960694
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119486108
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489
3-N-(5-chloro-2-pyridinyl)-1-N-(1,3-dioxoisoindol-5-yl)piperidine-1,3-dicarboxamide
CID 154833960
N-(5-chloro-2-pyridinyl)-1-[4-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 55818676
(3R)-N-(5-chloro-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 99783486
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide (CID 55812742) is N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)cc(C(C)C)nc21.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZTVOUBAAVLNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O4/c1-4-31-20-19(22(33)29-24(31)35)16(10-17(27-20)13(2)3)23(34)30-9-5-6-14(12-30)21(32)28-18-8-7-15(25)11-26-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,28,32)(H,29,33,35).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 498.97 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55812742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).