7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide

C23H23N5O2 — CID 66604891

IUPAC7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C23H23N5O2/c24-16-5-6-17-20(11-16)27-22-18(23(25)29)12-19(26-21(17)22)15-3-1-14(2-4-15)13-28-7-9-30-10-8-28/h1-6,11-12,27H,7-10,13,24H2,(H2,25,29)
InChIKeyBEJXJZUQJRHXPB-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.90
Rot. Bonds4

About 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide

7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604891) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604891
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2c1[nH]c1cc(N)ccc12
InChIInChI=1S/C23H23N5O2/c24-16-5-6-17-20(11-16)27-22-18(23(25)29)12-19(26-21(17)22)15-3-1-14(2-4-15)13-28-7-9-30-10-8-28/h1-6,11-12,27H,7-10,13,24H2,(H2,25,29)
InChIKeyBEJXJZUQJRHXPB-UHFFFAOYSA-N
XLogP2.90
TPSA110.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604891) is 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)nc2c1[nH]c1cc(N)ccc12.
What is the InChIKey of 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is BEJXJZUQJRHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c24-16-5-6-17-20(11-16)27-22-18(23(25)29)12-19(26-21(17)22)15-3-1-14(2-4-15)13-28-7-9-30-10-8-28/h1-6,11-12,27H,7-10,13,24H2,(H2,25,29).
What are the key properties of 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[4-(morpholin-4-ylmethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).