N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide

C20H20IN5O3 — CID 67425437

IUPACN-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
SMILESCC(COCI)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20IN5O3/c1-14(12-28-13-21)25-19(27)18-20(24-11-10-23-18)29-16-7-5-15(6-8-16)26-17-4-2-3-9-22-17/h2-11,14H,12-13H2,1H3,(H,22,26)(H,25,27)
InChIKeyXPEXOMULODCXHA-UHFFFAOYSA-N
MW505.32 g/mol
LogP3.93
Rot. Bonds9

About N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide

N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide (PubChem CID 67425437) has the molecular formula C20H20IN5O3 and a molecular weight of 505.32 g/mol. Its IUPAC name is N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
PubChem CID67425437
Molecular FormulaC20H20IN5O3
Molecular Weight505.32 g/mol
Exact Mass505.06
IUPAC NameN-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
SMILESCC(COCI)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C20H20IN5O3/c1-14(12-28-13-21)25-19(27)18-20(24-11-10-23-18)29-16-7-5-15(6-8-16)26-17-4-2-3-9-22-17/h2-11,14H,12-13H2,1H3,(H,22,26)(H,25,27)
InChIKeyXPEXOMULODCXHA-UHFFFAOYSA-N
XLogP3.93
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.32
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374131
N-(2-hydroxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374271
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]but-3-yn-2-ol
CID 67425972
2-(4-anilinophenoxy)pyridine-3-carboxylic acid;N-(2-methylpropyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide;1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]ethanone
CID 158403273
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzoic acid
CID 59374146
N-methyl-N-prop-2-enyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59374190
6-ethyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 67439353
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
N-[4-[[3-[(2-methylprop-2-enylamino)methyl]-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 91503354
methyl 2-[4-(pyridin-2-ylamino)phenyl]propanoate
CID 13054234

Frequently Asked Questions

What is the IUPAC name of N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide (CID 67425437) is N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide is CC(COCI)NC(=O)c1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
The InChIKey is XPEXOMULODCXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20IN5O3/c1-14(12-28-13-21)25-19(27)18-20(24-11-10-23-18)29-16-7-5-15(6-8-16)26-17-4-2-3-9-22-17/h2-11,14H,12-13H2,1H3,(H,22,26)(H,25,27).
What are the key properties of N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide?
N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide has a molecular weight of 505.32 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(iodomethoxy)propan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 67425437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).