(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol

C15H18ClN3O — CID 166484213

IUPAC(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol
SMILESCC[C@@](C)(O)c1cnc(NC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-3-15(2,20)12-8-18-14(19-9-4-5-9)11-7-17-13(16)6-10(11)12/h6-9,20H,3-5H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyWCPAUVQVKBHRSM-OAHLLOKOSA-N
MW291.78 g/mol
LogP3.47
Rot. Bonds4

About (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol

(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol (PubChem CID 166484213) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol
PubChem CID166484213
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol
SMILESCC[C@@](C)(O)c1cnc(NC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-3-15(2,20)12-8-18-14(19-9-4-5-9)11-7-17-13(16)6-10(11)12/h6-9,20H,3-5H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyWCPAUVQVKBHRSM-OAHLLOKOSA-N
XLogP3.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol with MolForge

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Related Compounds

2-[2-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)propan-2-ylamino]ethanol
CID 165380828
2-[1-(azetidin-3-yloxy)-6-chloro-2,7-naphthyridin-4-yl]propan-2-ol
CID 165117608
(7S,8R)-2-[[5-(2-aminobutan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 166663951
2-[6-chloro-1-[(1-fluorocyclopropyl)methoxy]-2,7-naphthyridin-4-yl]propan-2-ol
CID 166484276
[3-[[4-(2-azidobutan-2-yl)-6-chloro-2,7-naphthyridin-1-yl]oxy]azetidin-1-yl]-cyclopropylmethanone
CID 167211971
1-[6-(cyclopropylamino)-5-methyl-3-pyridinyl]propan-1-ol
CID 102545010
ethyl 6-[(4-tert-butylcyclohexyl)amino]-5-chloropyridine-3-carboxylate
CID 68966974
(2R)-2-[6-chloro-1-(1-methylcyclopropyl)oxy-2,7-naphthyridin-4-yl]butan-2-amine
CID 167261605
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
5-chloro-6-[(4-methylcycloheptyl)amino]pyridine-3-carboxylic acid
CID 114100429
2-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-2-amine;methylsulfinylmethane
CID 166484011

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol?
The IUPAC name of (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol (CID 166484213) is (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol.
What is the SMILES notation for (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol?
The canonical SMILES for (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol is CC[C@@](C)(O)c1cnc(NC2CC2)c2cnc(Cl)cc12.
What is the InChIKey of (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol?
The InChIKey is WCPAUVQVKBHRSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-15(2,20)12-8-18-14(19-9-4-5-9)11-7-17-13(16)6-10(11)12/h6-9,20H,3-5H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol?
(2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-chloro-1-(cyclopropylamino)-2,7-naphthyridin-4-yl]butan-2-ol is sourced from PubChem (CID 166484213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).