(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide

C18H20N4O2 — CID 171359597

IUPAC(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide
SMILESCOC[C@@H](C)CC(=O)Nc1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C18H20N4O2/c1-12(11-24-2)5-17(23)22-16-7-15(8-19-10-16)14-6-13-3-4-20-18(13)21-9-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyNPHAZPBLMZLOPJ-LBPRGKRZSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds6

About (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide

(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide (PubChem CID 171359597) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide
PubChem CID171359597
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide
SMILESCOC[C@@H](C)CC(=O)Nc1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C18H20N4O2/c1-12(11-24-2)5-17(23)22-16-7-15(8-19-10-16)14-6-13-3-4-20-18(13)21-9-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,20,21)(H,22,23)/t12-/m0/s1
InChIKeyNPHAZPBLMZLOPJ-LBPRGKRZSA-N
XLogP3.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide with MolForge

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Related Compounds

N-(6-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 104820050
2-cyclopropyl-N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464337
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 175083824
N-(5-chloropyrazin-2-yl)-4-methoxy-3-methylbutanamide
CID 107595963
[5-(1H-pyrrolo[2,3-c]pyridin-5-yl)-3-pyridinyl]carbamic acid
CID 135263765
2,2,2-trifluoro-N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 86634456
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-2,2-dimethylpropanamide
CID 175464314
N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 86810517
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide?
The IUPAC name of (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide (CID 171359597) is (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide?
The canonical SMILES for (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide is COC[C@@H](C)CC(=O)Nc1cncc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide?
The InChIKey is NPHAZPBLMZLOPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(11-24-2)5-17(23)22-16-7-15(8-19-10-16)14-6-13-3-4-20-18(13)21-9-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,20,21)(H,22,23)/t12-/m0/s1.
What are the key properties of (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide?
(3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-3-methyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 171359597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).