4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide

C27H28N6O2 — CID 67501618

IUPAC4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc4[nH]ccc34)c(C(N)=O)cn2)ccc1C(=O)N1CCCC1
InChIInChI=1S/C27H28N6O2/c1-17-13-19(7-8-20(17)27(35)33-11-2-3-12-33)32-25-14-24(22(16-31-25)26(28)34)30-15-18-5-4-6-23-21(18)9-10-29-23/h4-10,13-14,16,29H,2-3,11-12,15H2,1H3,(H2,28,34)(H2,30,31,32)
InChIKeyRNFUXZOJZVZOMG-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.56
Rot. Bonds7

About 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide

4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide (PubChem CID 67501618) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
PubChem CID67501618
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc4[nH]ccc34)c(C(N)=O)cn2)ccc1C(=O)N1CCCC1
InChIInChI=1S/C27H28N6O2/c1-17-13-19(7-8-20(17)27(35)33-11-2-3-12-33)32-25-14-24(22(16-31-25)26(28)34)30-15-18-5-4-6-23-21(18)9-10-29-23/h4-10,13-14,16,29H,2-3,11-12,15H2,1H3,(H2,28,34)(H2,30,31,32)
InChIKeyRNFUXZOJZVZOMG-UHFFFAOYSA-N
XLogP4.56
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
CID 67502269
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-[(2,3-difluorophenyl)methylamino]pyridine-3-carboxamide
CID 67501703
6-[4-[1-(cyanomethyl)piperidin-4-yl]anilino]-4-(1H-indol-4-ylmethylamino)pyridine-3-carboxamide
CID 87424144
6-[4-fluoro-3-(pyrrolidine-1-carbonylamino)anilino]-4-[2-(2-hydroxyphenyl)ethylamino]pyridine-3-carboxamide
CID 68759976
6-chloro-4-(1H-indol-4-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 143999736
4-[1H-indol-4-yl(methyl)amino]-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501878
4-[(2-fluorophenyl)methylamino]-6-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyridine-3-carboxamide
CID 56969798
[3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 166237298
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
4-[(2,6-difluorophenyl)methylamino]-6-[[5-(4-methyl-1,4-diazepane-1-carbonyl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 46209282

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide (CID 67501618) is 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide is Cc1cc(Nc2cc(NCc3cccc4[nH]ccc34)c(C(N)=O)cn2)ccc1C(=O)N1CCCC1.
What is the InChIKey of 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide?
The InChIKey is RNFUXZOJZVZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-17-13-19(7-8-20(17)27(35)33-11-2-3-12-33)32-25-14-24(22(16-31-25)26(28)34)30-15-18-5-4-6-23-21(18)9-10-29-23/h4-10,13-14,16,29H,2-3,11-12,15H2,1H3,(H2,28,34)(H2,30,31,32).
What are the key properties of 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide?
4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.56, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylmethylamino)-6-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67501618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).