(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine

C16H20ClN3O — CID 167261605

IUPAC(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
SMILESCC[C@@](C)(N)c1cnc(OC2(C)CC2)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c1-4-16(3,18)12-9-20-14(21-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h7-9H,4-6,18H2,1-3H3/t16-/m1/s1
InChIKeyCQIZGAUXOOXIAJ-MRXNPFEDSA-N
MW305.81 g/mol
LogP3.80
Rot. Bonds4

About (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine

(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine (PubChem CID 167261605) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine.

Molecular Properties

Compound Name(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
PubChem CID167261605
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
SMILESCC[C@@](C)(N)c1cnc(OC2(C)CC2)c2cnc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c1-4-16(3,18)12-9-20-14(21-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h7-9H,4-6,18H2,1-3H3/t16-/m1/s1
InChIKeyCQIZGAUXOOXIAJ-MRXNPFEDSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-methyl-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 166663963
4-[(2R)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine;4-[(2S)-2-azidobutan-2-yl]-6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridine
CID 167612397
2-[6-chloro-1-(3-methyl-1-oxothietan-3-yl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483540
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261460
(7S,8S)-2-[[5-(2-aminobutan-2-yl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663970
(S)-N-[[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 166653597
3-[[4-(2-azidopropan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]-3-methylthietane 1,1-dioxide
CID 166484122
2-[6-chloro-1-(2,2-difluoroethoxy)-2,7-naphthyridin-4-yl]propan-2-amine
CID 167261698
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484276
2-[6-chloro-1-[(1-oxothietan-3-yl)methoxy]-2,7-naphthyridin-4-yl]propan-2-amine
CID 166483812
(1R)-1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)-1-cyclobutylethanamine
CID 167261432
4-(2-azidopropan-2-yl)-6-chloro-1-[1-(methylsulfonylmethyl)cyclobutyl]oxy-2,7-naphthyridine
CID 175588952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The IUPAC name of (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine (CID 167261605) is (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine.
What is the SMILES notation for (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The canonical SMILES for (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine is CC[C@@](C)(N)c1cnc(OC2(C)CC2)c2cnc(Cl)cc12.
What is the InChIKey of (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
The InChIKey is CQIZGAUXOOXIAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-16(3,18)12-9-20-14(21-15(2)5-6-15)11-8-19-13(17)7-10(11)12/h7-9H,4-6,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine?
(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine is sourced from PubChem (CID 167261605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).