6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide

C24H24N6O3 — CID 59176868

IUPAC6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)c1
InChIInChI=1S/C24H24N6O3/c1-16-23(30-12-4-2-6-21(30)27-16)17-10-11-25-20(14-17)28-19-9-8-18(15-26-19)24(31)29-33-22-7-3-5-13-32-22/h2,4,6,8-12,14-15,22H,3,5,7,13H2,1H3,(H,29,31)(H,25,26,28)
InChIKeyTZRAZLXYVHVLBW-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.03
Rot. Bonds6

About 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide

6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide (PubChem CID 59176868) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
PubChem CID59176868
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)c1
InChIInChI=1S/C24H24N6O3/c1-16-23(30-12-4-2-6-21(30)27-16)17-10-11-25-20(14-17)28-19-9-8-18(15-26-19)24(31)29-33-22-7-3-5-13-32-22/h2,4,6,8-12,14-15,22H,3,5,7,13H2,1H3,(H,29,31)(H,25,26,28)
InChIKeyTZRAZLXYVHVLBW-UHFFFAOYSA-N
XLogP4.03
TPSA102.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Purinostat
CID 122648367
N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-pyridin-3-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
CID 122648403
N-hydroxy-2-[methyl-[(9-methyl-6-morpholin-4-yl-2-pyridin-4-ylpurin-8-yl)methyl]amino]pyrimidine-5-carboxamide
CID 122648649
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 77105903
N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carboxamide
CID 145965246
Methyl 4-[[4-[[(2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl)amino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 145967487
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891
N,N-dimethyl-3-[6-(piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 44448939
3-[6-(Piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 44448941
Morpholin-4-yl-[3-[6-(piperidin-4-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]methanone
CID 44448942
2-[[2-[4-(ethylamino)phenyl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648552
2-[[2-(6-amino-3-pyridinyl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 122648575

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide (CID 59176868) is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide is Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)NOC3CCCCO3)cn2)c1.
What is the InChIKey of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
The InChIKey is TZRAZLXYVHVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-23(30-12-4-2-6-21(30)27-16)17-10-11-25-20(14-17)28-19-9-8-18(15-26-19)24(31)29-33-22-7-3-5-13-32-22/h2,4,6,8-12,14-15,22H,3,5,7,13H2,1H3,(H,29,31)(H,25,26,28).
What are the key properties of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide?
6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-(oxan-2-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 59176868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).