2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide

C21H25N5O2 — CID 135260911

IUPAC2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide
SMILESNC(Cc1ccc(Oc2ccnc3[nH]ccc23)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H25N5O2/c22-18(21(27)26-14-4-2-1-3-5-14)12-15-6-7-16(13-25-15)28-19-9-11-24-20-17(19)8-10-23-20/h6-11,13-14,18H,1-5,12,22H2,(H,23,24)(H,26,27)
InChIKeyLLSALTYNMPITFH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.07
Rot. Bonds6

About 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide

2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide (PubChem CID 135260911) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide
PubChem CID135260911
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide
SMILESNC(Cc1ccc(Oc2ccnc3[nH]ccc23)cn1)C(=O)NC1CCCCC1
InChIInChI=1S/C21H25N5O2/c22-18(21(27)26-14-4-2-1-3-5-14)12-15-6-7-16(13-25-15)28-19-9-11-24-20-17(19)8-10-23-20/h6-11,13-14,18H,1-5,12,22H2,(H,23,24)(H,26,27)
InChIKeyLLSALTYNMPITFH-UHFFFAOYSA-N
XLogP3.07
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide 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

(2R)-2-amino-N-cyclohexyl-3-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260959
2-amino-N-(cyclohexylmethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 135260912
(2S)-2-amino-3-[4-[(3-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]-N-cyclohexylpropanamide
CID 135261017
N-cyclohexyl-N-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]propanamide
CID 142405243
2-amino-N-cyclohexyl-3-[3-fluoro-4-[[3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]propanamide
CID 135260941
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
(2R)-2-amino-N-(cyclohexylmethyl)-3-[4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanamide
CID 135260738
4-(4-butoxyphenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 71016217
N-cyclopropyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79800191
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide?
The IUPAC name of 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide (CID 135260911) is 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide?
The canonical SMILES for 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide is NC(Cc1ccc(Oc2ccnc3[nH]ccc23)cn1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide?
The InChIKey is LLSALTYNMPITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c22-18(21(27)26-14-4-2-1-3-5-14)12-15-6-7-16(13-25-15)28-19-9-11-24-20-17(19)8-10-23-20/h6-11,13-14,18H,1-5,12,22H2,(H,23,24)(H,26,27).
What are the key properties of 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide?
2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide has a molecular weight of 379.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-3-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-2-pyridinyl]propanamide is sourced from PubChem (CID 135260911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).