4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide

C20H18N6O — CID 67500980

IUPAC4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccnc2)cc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H18N6O/c21-20(27)16-12-25-19(26-15-2-1-6-22-11-15)9-18(16)24-10-13-3-4-14-5-7-23-17(14)8-13/h1-9,11-12,23H,10H2,(H2,21,27)(H2,24,25,26)
InChIKeyUWDIGLMLUBNAFX-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.41
Rot. Bonds6

About 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide

4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 67500980) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID67500980
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2cccnc2)cc1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C20H18N6O/c21-20(27)16-12-25-19(26-15-2-1-6-22-11-15)9-18(16)24-10-13-3-4-14-5-7-23-17(14)8-13/h1-9,11-12,23H,10H2,(H2,21,27)(H2,24,25,26)
InChIKeyUWDIGLMLUBNAFX-UHFFFAOYSA-N
XLogP3.41
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 89012362
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 58098696
2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117076911
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 58450737
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
6-(3-chloroanilino)-4-[(5-fluoro-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 67500823
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117077466
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 67500980) is 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2cccnc2)cc1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is UWDIGLMLUBNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c21-20(27)16-12-25-19(26-15-2-1-6-22-11-15)9-18(16)24-10-13-3-4-14-5-7-23-17(14)8-13/h1-9,11-12,23H,10H2,(H2,21,27)(H2,24,25,26).
What are the key properties of 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide?
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67500980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).