1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid

C20H25N5O3 — CID 66676403

IUPAC1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
SMILESCC(Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H25N5O3/c1-11(25(19(27)28)20(2,3)4)10-24-15-8-6-5-7-12(15)13-9-14(17(22)26)16(21)23-18(13)24/h5-9,11H,10H2,1-4H3,(H2,21,23)(H2,22,26)(H,27,28)
InChIKeyVJZXTBFKTKIJBB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid

1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid (PubChem CID 66676403) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid.

Molecular Properties

Compound Name1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
PubChem CID66676403
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
SMILESCC(Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C20H25N5O3/c1-11(25(19(27)28)20(2,3)4)10-24-15-8-6-5-7-12(15)13-9-14(17(22)26)16(21)23-18(13)24/h5-9,11H,10H2,1-4H3,(H2,21,23)(H2,22,26)(H,27,28)
InChIKeyVJZXTBFKTKIJBB-UHFFFAOYSA-N
XLogP3.04
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid?
The IUPAC name of 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid (CID 66676403) is 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid.
What is the SMILES notation for 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid?
The canonical SMILES for 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid is CC(Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21)N(C(=O)O)C(C)(C)C.
What is the InChIKey of 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid?
The InChIKey is VJZXTBFKTKIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-11(25(19(27)28)20(2,3)4)10-24-15-8-6-5-7-12(15)13-9-14(17(22)26)16(21)23-18(13)24/h5-9,11H,10H2,1-4H3,(H2,21,23)(H2,22,26)(H,27,28).
What are the key properties of 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid?
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid has a molecular weight of 383.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid is sourced from PubChem (CID 66676403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).