N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide

C20H21N5O2 — CID 133469322

IUPACN-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)Oc1nccnc1NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H21N5O2/c1-14(2)27-20-18(22-10-11-23-20)24-12-15-5-7-17(8-6-15)25-19(26)16-4-3-9-21-13-16/h3-11,13-14H,12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyBWOAYURFIVGTDT-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 133469322) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID133469322
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)Oc1nccnc1NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C20H21N5O2/c1-14(2)27-20-18(22-10-11-23-20)24-12-15-5-7-17(8-6-15)25-19(26)16-4-3-9-21-13-16/h3-11,13-14H,12H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyBWOAYURFIVGTDT-UHFFFAOYSA-N
XLogP3.52
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525
N-[4-[[[2-(4-propylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925558
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925489
N-[4-[[(3,4,5-triethoxybenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925490
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
CID 110705497
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 133469322) is N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide is CC(C)Oc1nccnc1NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is BWOAYURFIVGTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14(2)27-20-18(22-10-11-23-20)24-12-15-5-7-17(8-6-15)25-19(26)16-4-3-9-21-13-16/h3-11,13-14H,12H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 133469322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).