2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C23H23N5O2 — CID 145491756

IUPAC2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCNc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1
InChIInChI=1S/C23H23N5O2/c1-24-18-6-4-14(5-7-18)20-13-27-22-19(20)9-16(12-26-22)15-8-17(11-25-10-15)21(29)23(30)28(2)3/h4-13,21,24,29H,1-3H3,(H,26,27)
InChIKeyQKMNGZRBVOIVOH-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.46
Rot. Bonds5

About 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 145491756) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
PubChem CID145491756
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
SMILESCNc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1
InChIInChI=1S/C23H23N5O2/c1-24-18-6-4-14(5-7-18)20-13-27-22-19(20)9-16(12-26-22)15-8-17(11-25-10-15)21(29)23(30)28(2)3/h4-13,21,24,29H,1-3H3,(H,26,27)
InChIKeyQKMNGZRBVOIVOH-UHFFFAOYSA-N
XLogP3.46
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(2R)-2-hydroxy-2-phenylethyl]-4-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]benzamide
CID 89743545
US10799507, Example 7
CID 135289834
US10799507, Example 149
CID 148813371
US10799507, Example 9
CID 153308867
US10799507, Example 6
CID 153308914
(E)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enamide
CID 134138526
2-Hydroxy-N-[5-(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-pyridin-3-yl]-2-phenyl-acetamide
CID 70817712
US10799507, Example 150
CID 135302805
US10799507, Example 75
CID 135302889
US10799507, Example 45
CID 149977247
US10799507, Example 133
CID 151860931
US10799507, Example 50
CID 151996693

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 145491756) is 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CNc1ccc(-c2c[nH]c3ncc(-c4cncc(C(O)C(=O)N(C)C)c4)cc23)cc1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
The InChIKey is QKMNGZRBVOIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-24-18-6-4-14(5-7-18)20-13-27-22-19(20)9-16(12-26-22)15-8-17(11-25-10-15)21(29)23(30)28(2)3/h4-13,21,24,29H,1-3H3,(H,26,27).
What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?
2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-[4-(methylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 145491756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).