N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide

C19H19ClN4O2 — CID 158505438

IUPACN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)N3CCOCC3)ccc1Cl)=N2
InChIInChI=1S/C19H19ClN4O2/c1-12-8-13-9-17(23-18(13)21-11-12)15-10-14(2-3-16(15)20)22-19(25)24-4-6-26-7-5-24/h2-3,8,10-11H,4-7,9H2,1H3,(H,22,25)
InChIKeyHKKHQUNXDMWYRX-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.58
Rot. Bonds2

About N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide

N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide (PubChem CID 158505438) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
PubChem CID158505438
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide
SMILESCc1cnc2c(c1)CC(c1cc(NC(=O)N3CCOCC3)ccc1Cl)=N2
InChIInChI=1S/C19H19ClN4O2/c1-12-8-13-9-17(23-18(13)21-11-12)15-10-14(2-3-16(15)20)22-19(25)24-4-6-26-7-5-24/h2-3,8,10-11H,4-7,9H2,1H3,(H,22,25)
InChIKeyHKKHQUNXDMWYRX-UHFFFAOYSA-N
XLogP3.58
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]benzamide
CID 162037501
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-1H-imidazole-5-carboxamide
CID 159861957
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-imidazol-1-ylacetamide
CID 159741721
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 158075679
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 162219096
N-[4-chloro-3-[5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 160509477
methyl 2-[4-[2-[2-chloro-5-[(3,3-difluoropyrrolidine-1-carbonyl)amino]phenyl]-3H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetate
CID 159661455
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-[4-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]morpholine-4-carboxamide
CID 166705219
ethyl N-[4-chloro-3-[5-(4-ethylphenyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]carbamate
CID 162107812
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
N-(2,6-dichloro-3-methylphenyl)morpholine-4-carboxamide
CID 116653886

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide (CID 158505438) is N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide is Cc1cnc2c(c1)CC(c1cc(NC(=O)N3CCOCC3)ccc1Cl)=N2.
What is the InChIKey of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is HKKHQUNXDMWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-12-8-13-9-17(23-18(13)21-11-12)15-10-14(2-3-16(15)20)22-19(25)24-4-6-26-7-5-24/h2-3,8,10-11H,4-7,9H2,1H3,(H,22,25).
What are the key properties of N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide?
N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-methyl-3H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 158505438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).