2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide

C23H30N4O3 — CID 175443441

IUPAC2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCC1COCCN1Cc1ccc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-16-15-30-11-8-27(16)14-17-2-4-18(5-3-17)19-12-21(22(24)25-13-19)23(28)26-20-6-9-29-10-7-20/h2-5,12-13,16,20H,6-11,14-15H2,1H3,(H2,24,25)(H,26,28)
InChIKeyMFTDKWHSAJNSEG-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide

2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 175443441) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID175443441
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCC1COCCN1Cc1ccc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)cc1
InChIInChI=1S/C23H30N4O3/c1-16-15-30-11-8-27(16)14-17-2-4-18(5-3-17)19-12-21(22(24)25-13-19)23(28)26-20-6-9-29-10-7-20/h2-5,12-13,16,20H,6-11,14-15H2,1H3,(H2,24,25)(H,26,28)
InChIKeyMFTDKWHSAJNSEG-UHFFFAOYSA-N
XLogP2.46
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 175443441) is 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide is CC1COCCN1Cc1ccc(-c2cnc(N)c(C(=O)NC3CCOCC3)c2)cc1.
What is the InChIKey of 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is MFTDKWHSAJNSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-15-30-11-8-27(16)14-17-2-4-18(5-3-17)19-12-21(22(24)25-13-19)23(28)26-20-6-9-29-10-7-20/h2-5,12-13,16,20H,6-11,14-15H2,1H3,(H2,24,25)(H,26,28).
What are the key properties of 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide?
2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175443441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).