5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde

C24H30ClN5O3 — CID 142922367

IUPAC5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde
SMILESCN(C)C1CCC(C=O)CC1.CNc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(Cl)nc12
InChIInChI=1S/C15H13ClN4O2.C9H17NO/c1-8-3-6-11(18-7-8)20-15(21)14-13(17-2)12-9(22-14)4-5-10(16)19-12;1-10(2)9-5-3-8(7-11)4-6-9/h3-7,17H,1-2H3,(H,18,20,21);7-9H,3-6H2,1-2H3
InChIKeyQNZCWJJMFBSCCK-UHFFFAOYSA-N
MW471.99 g/mol
LogP4.78
Rot. Bonds5

About 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde

5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde (PubChem CID 142922367) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde
PubChem CID142922367
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde
SMILESCN(C)C1CCC(C=O)CC1.CNc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(Cl)nc12
InChIInChI=1S/C15H13ClN4O2.C9H17NO/c1-8-3-6-11(18-7-8)20-15(21)14-13(17-2)12-9(22-14)4-5-10(16)19-12;1-10(2)9-5-3-8(7-11)4-6-9/h3-7,17H,1-2H3,(H,18,20,21);7-9H,3-6H2,1-2H3
InChIKeyQNZCWJJMFBSCCK-UHFFFAOYSA-N
XLogP4.78
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-[ethyl(methyl)amino]oxycyclooctane-1-carbaldehyde;3-(methylamino)-2-[(5-methyl-2-pyridinyl)carbamoyl]furo[3,2-b]pyridine-5-carboxylic acid;N-methylmethanamine
CID 142922487
3-[(4-formylcyclohexanecarbonyl)amino]-4-N-(2-methoxyethyl)-4-N-methyl-2-N-(5-methyl-2-pyridinyl)-1-benzofuran-2,4-dicarboxamide
CID 143022604
5-amino-N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-1-benzofuran-2-carboxamide;dihydrochloride
CID 23062731
3-[[(2S)-5-(dimethylamino)-2-ethylheptanoyl]amino]-5-methyl-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
CID 142922497
5-fluoro-3-[[(2S)-2-methylhexanoyl]amino]-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide
CID 142922611
3-amino-5-hydroxy-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 142811985
6-chloro-N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 103186850
N-(5-chloro-2-pyridinyl)-4-(dimethylamino)-3-formamidofuro[3,2-c]pyridine-2-carboxamide
CID 142922416
N-(5-chloro-2-pyridinyl)-3-[[4-(methylamino)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-2-carboxamide;trihydrochloride
CID 23088716
N-(5-methyl-2-pyridinyl)-3-(propan-2-ylamino)furo[3,2-c]pyridine-2-carboxamide
CID 142922333
ethane;N-(5-methyl-2-pyridinyl)-3-(propan-2-ylamino)furo[3,2-c]pyridine-2-carboxamide
CID 142922332
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde?
The IUPAC name of 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde (CID 142922367) is 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde?
The canonical SMILES for 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde is CN(C)C1CCC(C=O)CC1.CNc1c(C(=O)Nc2ccc(C)cn2)oc2ccc(Cl)nc12.
What is the InChIKey of 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde?
The InChIKey is QNZCWJJMFBSCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2.C9H17NO/c1-8-3-6-11(18-7-8)20-15(21)14-13(17-2)12-9(22-14)4-5-10(16)19-12;1-10(2)9-5-3-8(7-11)4-6-9/h3-7,17H,1-2H3,(H,18,20,21);7-9H,3-6H2,1-2H3.
What are the key properties of 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde?
5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde has a molecular weight of 471.99 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-N-(5-methyl-2-pyridinyl)furo[3,2-b]pyridine-2-carboxamide;4-(dimethylamino)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 142922367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).