N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide

C19H19N5O3 — CID 23072181

IUPACN-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESC=CCNC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)NC)c2)ccn1
InChIInChI=1S/C19H19N5O3/c1-3-8-22-18(25)23-17-12-15(6-9-21-17)27-14-4-5-16-13(11-14)7-10-24(16)19(26)20-2/h3-7,9-12H,1,8H2,2H3,(H,20,26)(H2,21,22,23,25)
InChIKeyKGONJALKQIWWAB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide

N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 23072181) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
PubChem CID23072181
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
SMILESC=CCNC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)NC)c2)ccn1
InChIInChI=1S/C19H19N5O3/c1-3-8-22-18(25)23-17-12-15(6-9-21-17)27-14-4-5-16-13(11-14)7-10-24(16)19(26)20-2/h3-7,9-12H,1,8H2,2H3,(H,20,26)(H2,21,22,23,25)
InChIKeyKGONJALKQIWWAB-UHFFFAOYSA-N
XLogP3.32
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide (CID 23072181) is N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide is C=CCNC(=O)Nc1cc(Oc2ccc3c(ccn3C(=O)NC)c2)ccn1.
What is the InChIKey of N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is KGONJALKQIWWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-8-22-18(25)23-17-12-15(6-9-21-17)27-14-4-5-16-13(11-14)7-10-24(16)19(26)20-2/h3-7,9-12H,1,8H2,2H3,(H,20,26)(H2,21,22,23,25).
What are the key properties of N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide?
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 23072181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).