N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C24H25N5O3 — CID 10181158

IUPACN-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(-c3ccc(CN(CCO)CCO)cc3)cc12)c1cccnc1
InChIInChI=1S/C24H25N5O3/c30-10-8-29(9-11-31)16-17-3-5-18(6-4-17)20-12-21-22(15-27-23(21)26-14-20)28-24(32)19-2-1-7-25-13-19/h1-7,12-15,30-31H,8-11,16H2,(H,26,27)(H,28,32)
InChIKeyYVKZEXOGOOIADS-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.66
Rot. Bonds9

About N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 10181158) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID10181158
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(-c3ccc(CN(CCO)CCO)cc3)cc12)c1cccnc1
InChIInChI=1S/C24H25N5O3/c30-10-8-29(9-11-31)16-17-3-5-18(6-4-17)20-12-21-22(15-27-23(21)26-14-20)28-24(32)19-2-1-7-25-13-19/h1-7,12-15,30-31H,8-11,16H2,(H,26,27)(H,28,32)
InChIKeyYVKZEXOGOOIADS-UHFFFAOYSA-N
XLogP2.66
TPSA114.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10222445
N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 155540633
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenol
CID 11953295
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467
N'-(2-hydroxyethyl)-N'-methylpyridine-3-carbohydrazide
CID 91621752
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 10181158) is N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is O=C(Nc1c[nH]c2ncc(-c3ccc(CN(CCO)CCO)cc3)cc12)c1cccnc1.
What is the InChIKey of N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is YVKZEXOGOOIADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-10-8-29(9-11-31)16-17-3-5-18(6-4-17)20-12-21-22(15-27-23(21)26-14-20)28-24(32)19-2-1-7-25-13-19/h1-7,12-15,30-31H,8-11,16H2,(H,26,27)(H,28,32).
What are the key properties of N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.66, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10181158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).