N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

C23H21N5O — CID 70778971

IUPACN-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1
InChIInChI=1S/C23H21N5O/c29-23(27-18-7-8-18)17-5-3-16(4-6-17)20-12-21(28-22-19(20)9-11-25-22)26-14-15-2-1-10-24-13-15/h1-6,9-13,18H,7-8,14H2,(H,27,29)(H2,25,26,28)
InChIKeyHOBMXOXQYRRANU-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.13
Rot. Bonds6

About N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 70778971) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID70778971
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1
InChIInChI=1S/C23H21N5O/c29-23(27-18-7-8-18)17-5-3-16(4-6-17)20-12-21(28-22-19(20)9-11-25-22)26-14-15-2-1-10-24-13-15/h1-6,9-13,18H,7-8,14H2,(H,27,29)(H2,25,26,28)
InChIKeyHOBMXOXQYRRANU-UHFFFAOYSA-N
XLogP4.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
CID 70775168
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741
4-(6-amino-3-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56907286
2-[[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]methylsulfanyl]ethanol
CID 70760822
4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-carboxamide
CID 56901940
N-(pyridin-3-ylmethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70708922
[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indol-2-yl]methanol
CID 56910387
(1R)-1-[4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]butan-1-ol
CID 95876913
[2-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-pyridinyl]methanol
CID 56887832
1-[5-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]ethanone
CID 56908537
4-(6-amino-2-pyridinyl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56895349
N-(pyridin-3-ylmethyl)-4-(4,5,6-trimethyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910898

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 70778971) is N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is HOBMXOXQYRRANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(27-18-7-8-18)17-5-3-16(4-6-17)20-12-21(28-22-19(20)9-11-25-22)26-14-15-2-1-10-24-13-15/h1-6,9-13,18H,7-8,14H2,(H,27,29)(H2,25,26,28).
What are the key properties of N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 383.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(pyridin-3-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 70778971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).