5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine

C17H21N5O — CID 89219183

IUPAC5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N)c2)ccc1NC)N1CCOCC1
InChIInChI=1S/C17H21N5O/c1-20-16-3-2-12(13-8-14(18)11-21-10-13)9-15(16)17(19)22-4-6-23-7-5-22/h2-3,8-11,19-20H,4-7,18H2,1H3/b19-17-
InChIKeyCTKOXMOLGMDHMY-ZPHPHTNESA-N
MW311.39 g/mol
LogP2.03
Rot. Bonds3

About 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine

5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine (PubChem CID 89219183) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine
PubChem CID89219183
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncc(N)c2)ccc1NC)N1CCOCC1
InChIInChI=1S/C17H21N5O/c1-20-16-3-2-12(13-8-14(18)11-21-10-13)9-15(16)17(19)22-4-6-23-7-5-22/h2-3,8-11,19-20H,4-7,18H2,1H3/b19-17-
InChIKeyCTKOXMOLGMDHMY-ZPHPHTNESA-N
XLogP2.03
TPSA87.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine?
The IUPAC name of 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine (CID 89219183) is 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine.
What is the SMILES notation for 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine?
The canonical SMILES for 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine is [H]/N=C(/c1cc(-c2cncc(N)c2)ccc1NC)N1CCOCC1.
What is the InChIKey of 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine?
The InChIKey is CTKOXMOLGMDHMY-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H21N5O/c1-20-16-3-2-12(13-8-14(18)11-21-10-13)9-15(16)17(19)22-4-6-23-7-5-22/h2-3,8-11,19-20H,4-7,18H2,1H3/b19-17-.
What are the key properties of 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine?
5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine has a molecular weight of 311.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)-3-(morpholine-4-carboximidoyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 89219183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).