N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

C19H18ClN3O2 — CID 167848195

IUPACN-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H18ClN3O2/c20-14-3-1-13(2-4-14)19(7-11-25-12-8-19)23-18(24)16-6-10-22-17-15(16)5-9-21-17/h1-6,9-10H,7-8,11-12H2,(H,21,22)(H,23,24)
InChIKeyBILZATCMEOJAOB-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.65
Rot. Bonds3

About N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 167848195) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID167848195
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccnc2[nH]ccc12
InChIInChI=1S/C19H18ClN3O2/c20-14-3-1-13(2-4-14)19(7-11-25-12-8-19)23-18(24)16-6-10-22-17-15(16)5-9-21-17/h1-6,9-10H,7-8,11-12H2,(H,21,22)(H,23,24)
InChIKeyBILZATCMEOJAOB-UHFFFAOYSA-N
XLogP3.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
CID 138992450
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
N-[4-(4-chlorophenyl)oxan-4-yl]-4-cyano-2-methylbenzamide
CID 136516893
4-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 86789098
3-chloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]pyridine-4-carboxamide
CID 127877610
2,5-dichloro-N-[4-(1,2,4-oxadiazol-3-yl)oxan-4-yl]benzamide
CID 75504262
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
1-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]isoquinoline-3-carboxamide
CID 86897720
N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 100703954
N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
CID 146085233
N-[(4-methylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166270354
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 167848195) is N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccnc2[nH]ccc12.
What is the InChIKey of N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is BILZATCMEOJAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-3-1-13(2-4-14)19(7-11-25-12-8-19)23-18(24)16-6-10-22-17-15(16)5-9-21-17/h1-6,9-10H,7-8,11-12H2,(H,21,22)(H,23,24).
What are the key properties of N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 167848195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).