4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one

C28H28N6O3 — CID 174783747

IUPAC4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(N4CCOCC4)nc3)cc12.O=C1C=CN1
InChIInChI=1S/C25H25N5O2.C3H3NO/c26-14-16-3-1-2-4-18(16)19-6-7-20(25(27)31)24-21(19)13-22(29-24)17-5-8-23(28-15-17)30-9-11-32-12-10-30;5-3-1-2-4-3/h1-8,13,15,29H,9-12,14,26H2,(H2,27,31);1-2H,(H,4,5)
InChIKeyDGFPCWVHNUCAOL-UHFFFAOYSA-N
MW496.57 g/mol
LogP2.92
Rot. Bonds5

About 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one

4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one (PubChem CID 174783747) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one
PubChem CID174783747
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one
SMILESNCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(N4CCOCC4)nc3)cc12.O=C1C=CN1
InChIInChI=1S/C25H25N5O2.C3H3NO/c26-14-16-3-1-2-4-18(16)19-6-7-20(25(27)31)24-21(19)13-22(29-24)17-5-8-23(28-15-17)30-9-11-32-12-10-30;5-3-1-2-4-3/h1-8,13,15,29H,9-12,14,26H2,(H2,27,31);1-2H,(H,4,5)
InChIKeyDGFPCWVHNUCAOL-UHFFFAOYSA-N
XLogP2.92
TPSA139.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one with MolForge

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Related Compounds

2-(carbamoylamino)-6-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-3-carboxamide
CID 59189952
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
CID 123765235
2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridine-4-carboxamide
CID 118869329
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 30292906
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 59525820
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 18140195
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one?
The IUPAC name of 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one (CID 174783747) is 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one?
The canonical SMILES for 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one is NCc1ccccc1-c1ccc(C(N)=O)c2[nH]c(-c3ccc(N4CCOCC4)nc3)cc12.O=C1C=CN1.
What is the InChIKey of 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one?
The InChIKey is DGFPCWVHNUCAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C3H3NO/c26-14-16-3-1-2-4-18(16)19-6-7-20(25(27)31)24-21(19)13-22(29-24)17-5-8-23(28-15-17)30-9-11-32-12-10-30;5-3-1-2-4-3/h1-8,13,15,29H,9-12,14,26H2,(H2,27,31);1-2H,(H,4,5).
What are the key properties of 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one?
4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one has a molecular weight of 496.57 g/mol, XLogP of 2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)phenyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1H-indole-7-carboxamide;1H-azet-2-one is sourced from PubChem (CID 174783747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).