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

C21H23N7O3 — CID 55961725

IUPACN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCNc3ncccc3C#N)cc(C(C)C)nc21
InChIInChI=1S/C21H23N7O3/c1-4-28-18-16(20(30)27-21(28)31)14(10-15(26-18)12(2)3)19(29)25-9-8-24-17-13(11-22)6-5-7-23-17/h5-7,10,12H,4,8-9H2,1-3H3,(H,23,24)(H,25,29)(H,27,30,31)
InChIKeyADUJHUFVIWKFOZ-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.34
Rot. Bonds7

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

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55961725) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55961725
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC NameN-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCCn1c(=O)[nH]c(=O)c2c(C(=O)NCCNc3ncccc3C#N)cc(C(C)C)nc21
InChIInChI=1S/C21H23N7O3/c1-4-28-18-16(20(30)27-21(28)31)14(10-15(26-18)12(2)3)19(29)25-9-8-24-17-13(11-22)6-5-7-23-17/h5-7,10,12H,4,8-9H2,1-3H3,(H,23,24)(H,25,29)(H,27,30,31)
InChIKeyADUJHUFVIWKFOZ-UHFFFAOYSA-N
XLogP1.34
TPSA145.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

1-ethyl-N-(4-methylpentyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 33077897
N-(2-aminoethyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide;dihydrochloride
CID 119384958
1-ethyl-2,4-dioxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267700
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55639059
1-ethyl-N-(furan-2-ylmethyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266426
1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 18802061
N-(2-aminoethyl)-2,4-dioxo-7-propan-2-yl-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119384530
N-(3-bromophenyl)-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266984
1-ethyl-7-propan-2-yl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 39297806
1-ethyl-N-(3-fluorophenyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39267249
N-(2-aminoethyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 119382183
N-[(3-bromo-5-fluorophenyl)methyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55978596

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide (CID 55961725) is N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCNc3ncccc3C#N)cc(C(C)C)nc21.
What is the InChIKey of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is ADUJHUFVIWKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-4-28-18-16(20(30)27-21(28)31)14(10-15(26-18)12(2)3)19(29)25-9-8-24-17-13(11-22)6-5-7-23-17/h5-7,10,12H,4,8-9H2,1-3H3,(H,23,24)(H,25,29)(H,27,30,31).
What are the key properties of N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide?
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-ethyl-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).