N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

C25H25N5O3 — CID 145164648

IUPACN-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC(=O)NCc3ccccc3[C@H](N)c3ccccn3)cc12
InChIInChI=1S/C25H25N5O3/c1-33-22-11-6-10-19-18(22)13-21(30-19)25(32)29-15-23(31)28-14-16-7-2-3-8-17(16)24(26)20-9-4-5-12-27-20/h2-13,24,30H,14-15,26H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1
InChIKeyXQEYONYXUBLCDP-DEOSSOPVSA-N
MW443.51 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 145164648) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID145164648
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NCC(=O)NCc3ccccc3[C@H](N)c3ccccn3)cc12
InChIInChI=1S/C25H25N5O3/c1-33-22-11-6-10-19-18(22)13-21(30-19)25(32)29-15-23(31)28-14-16-7-2-3-8-17(16)24(26)20-9-4-5-12-27-20/h2-13,24,30H,14-15,26H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1
InChIKeyXQEYONYXUBLCDP-DEOSSOPVSA-N
XLogP2.67
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 4910202
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
4-methoxy-N-[2-oxo-2-[[2-oxo-3-[2,3,5,6-tetrafluoro-4-(2-hydroxypropan-2-yl)phenoxy]propyl]amino]ethyl]-1H-indole-2-carboxamide
CID 177146711
methyl 2-[[2-[[4-(difluoromethoxy)-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 167809954
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[2-[[4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 143139060
N-[2-[[4-chloro-3-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
CID 156882320
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
[(3S)-3-[[2-[(4-methoxy-1H-indole-2-carbonyl)amino]acetyl]amino]-2-oxo-4-[(3S)-2-oxopiperidin-3-yl]butyl] benzoate
CID 164544451
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 124861217
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (CID 145164648) is N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NCC(=O)NCc3ccccc3[C@H](N)c3ccccn3)cc12.
What is the InChIKey of N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is XQEYONYXUBLCDP-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-33-22-11-6-10-19-18(22)13-21(30-19)25(32)29-15-23(31)28-14-16-7-2-3-8-17(16)24(26)20-9-4-5-12-27-20/h2-13,24,30H,14-15,26H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1.
What are the key properties of N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?
N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 2.67, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(S)-amino(pyridin-2-yl)methyl]phenyl]methylamino]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 145164648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).