6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide

C24H30F2N4O4 — CID 162359303

IUPAC6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\c1cccc(OC(F)F)c1)c1ncc(C(=O)NC2([C@@H](C)O)CCOCC2)cc1NC(C)C
InChIInChI=1S/C24H30F2N4O4/c1-14(2)29-19-12-17(22(32)30-24(15(3)31)7-9-33-10-8-24)13-28-21(19)20(27)16-5-4-6-18(11-16)34-23(25)26/h4-6,11-15,23,27,29,31H,7-10H2,1-3H3,(H,30,32)/b27-20+/t15-/m1/s1
InChIKeyBLQSZHQDNKXAMF-BJADGWIFSA-N
MW476.52 g/mol
LogP3.58
Rot. Bonds9

About 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide

6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 162359303) has the molecular formula C24H30F2N4O4 and a molecular weight of 476.52 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID162359303
Molecular FormulaC24H30F2N4O4
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC Name6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide
SMILES[H]/N=C(\c1cccc(OC(F)F)c1)c1ncc(C(=O)NC2([C@@H](C)O)CCOCC2)cc1NC(C)C
InChIInChI=1S/C24H30F2N4O4/c1-14(2)29-19-12-17(22(32)30-24(15(3)31)7-9-33-10-8-24)13-28-21(19)20(27)16-5-4-6-18(11-16)34-23(25)26/h4-6,11-15,23,27,29,31H,7-10H2,1-3H3,(H,30,32)/b27-20+/t15-/m1/s1
InChIKeyBLQSZHQDNKXAMF-BJADGWIFSA-N
XLogP3.58
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(difluoromethoxy)benzenecarboximidoyl]-5-(propan-2-ylamino)pyridine-3-carbaldehyde;N,3-dimethyl-1-oxothietan-3-amine
CID 162359013
3-[3-(difluoromethoxy)phenyl]-N-[3-(1-hydroxyethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162487578
6-[3-(difluoromethoxy)benzenecarboximidoyl]-5-(oxan-4-ylmethylamino)pyridine-3-carbaldehyde;N,3-dimethylthietan-3-amine
CID 162359349
N,3-dimethylthietan-3-amine;5-(propan-2-ylamino)-6-[3-(trifluoromethoxy)benzenecarboximidoyl]pyridine-3-carbaldehyde
CID 162358970
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-[3-(difluoromethoxy)phenyl]-N-[(3R)-3-(hydroxymethyl)oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 162359325
4-[3-(difluoromethoxy)benzenecarboximidoyl]-3-methyl-5-(oxan-4-ylamino)benzaldehyde;N,3-dimethylthiolan-3-amine
CID 162359392
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
4-[3-(difluoromethoxy)anilino]-3-(4-hydroxyoxane-4-carboximidoyl)benzaldehyde
CID 162359645
tert-butyl N-[4-(1-hydroxyethyl)oxepan-4-yl]carbamate
CID 170203824
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide (CID 162359303) is 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide is [H]/N=C(\c1cccc(OC(F)F)c1)c1ncc(C(=O)NC2([C@@H](C)O)CCOCC2)cc1NC(C)C.
What is the InChIKey of 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BLQSZHQDNKXAMF-BJADGWIFSA-N. The full InChI is InChI=1S/C24H30F2N4O4/c1-14(2)29-19-12-17(22(32)30-24(15(3)31)7-9-33-10-8-24)13-28-21(19)20(27)16-5-4-6-18(11-16)34-23(25)26/h4-6,11-15,23,27,29,31H,7-10H2,1-3H3,(H,30,32)/b27-20+/t15-/m1/s1.
What are the key properties of 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide?
6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 3.58, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)benzenecarboximidoyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-5-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 162359303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).