N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide

C12H13ClN4O2 — CID 135344727

IUPACN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc2cc(Cl)nc(N)c2cn1
InChIInChI=1S/C12H13ClN4O2/c1-12(2,19)11(18)17-9-4-6-3-8(13)16-10(14)7(6)5-15-9/h3-5,19H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeySWMGXVUVGWEIED-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.57
Rot. Bonds2

About N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide

N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 135344727) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
PubChem CID135344727
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)Nc1cc2cc(Cl)nc(N)c2cn1
InChIInChI=1S/C12H13ClN4O2/c1-12(2,19)11(18)17-9-4-6-3-8(13)16-10(14)7(6)5-15-9/h3-5,19H,1-2H3,(H2,14,16)(H,15,17,18)
InChIKeySWMGXVUVGWEIED-UHFFFAOYSA-N
XLogP1.57
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
CID 135345133
(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 86674973
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344410
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 135344532
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344555
cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344627
cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344631
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 135344693
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 135344740
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 135344782
trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135344943

Frequently Asked Questions

What is the IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide (CID 135344727) is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)Nc1cc2cc(Cl)nc(N)c2cn1.
What is the InChIKey of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is SWMGXVUVGWEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-12(2,19)11(18)17-9-4-6-3-8(13)16-10(14)7(6)5-15-9/h3-5,19H,1-2H3,(H2,14,16)(H,15,17,18).
What are the key properties of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide?
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 280.72 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 135344727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).