2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C22H23ClN6O2 — CID 71450433

IUPAC2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(Cl)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H23ClN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30)
InChIKeyWARNLZRBSMHRSQ-UHFFFAOYSA-N
MW438.92 g/mol
LogP4.27
Rot. Bonds4

About 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71450433) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71450433
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ccncc1NC(=O)N1CCc2nc(-c3ccc(Cl)nc3)nc(OC(C)C)c2C1
InChIInChI=1S/C22H23ClN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30)
InChIKeyWARNLZRBSMHRSQ-UHFFFAOYSA-N
XLogP4.27
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-(6-chloro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49821911
2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-6-pyridin-3-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 49821987
2-(6-chloro-3-pyridinyl)-N-methyl-4-propan-2-yloxy-N-(1H-pyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71455795
4-(2-methoxyethoxy)-N-phenyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822075
N-(3-ethylphenyl)-4-(1-methylpiperidin-4-yl)oxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822155
N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53232478
5-(6-(6-(1-Methylpiperidin-4-yloxy)pyridin-3-ylamino)-2-morpholinopyrimidin-4-yl)pyrimidin-2-amine
CID 53324329
(1-Methylcyclopropyl) 9-[6-[(2-chloro-3-pyridinyl)amino]-5-fluoropyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 88567661
(S)-2-(6-Chloropyridin-3-yl)-4-((1-methoxypropan-2-yl)oxy)-N-(6-methylpyridin-3-yl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxamide
CID 49821990
2-(6-chloro-3-pyridinyl)-N-(6-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 49822158
2-(6-chloro-3-pyridinyl)-N-(2-methoxy-4-pyridinyl)-4-(oxolan-3-yloxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71699830
N-(4-methyl-3-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71450432

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71450433) is 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ccncc1NC(=O)N1CCc2nc(-c3ccc(Cl)nc3)nc(OC(C)C)c2C1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is WARNLZRBSMHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-13(2)31-21-16-12-29(22(30)27-18-11-24-8-6-14(18)3)9-7-17(16)26-20(28-21)15-4-5-19(23)25-10-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,27,30).
What are the key properties of 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-N-(4-methyl-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71450433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).